REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1kb0_1_A DATA FIRST_RESID 1 DATA SEQUENCE TGPAAQAAAA VQRVDGDFIR ANAARTPDWP TIGVDYAETR YSRLDQINAA DATA SEQUENCE NVKDLGLAWS YNLESTRGVE ATPVVVDGIM YVSASWSVVH AIDTRTGNRI DATA SEQUENCE WTYDPQIDRS TGFKGCCDVV NRGVALWKGK VYVGAWDGRL IALDAATGKE DATA SEQUENCE VWHQNTFEGQ KGSLTITGAP RVFKGKVIIG NGGAEYGVRG YITAYDAETG DATA SEQUENCE ERKWRWFSVP GDPSKPFEDE SMKRAARTWD PSGKWWEAGG GGTMWDSMTF DATA SEQUENCE DAELNTMYVG TGNGSPWSHK VRSPKGGDNL YLASIVALDP DTGKYKWHYQ DATA SEQUENCE ETPGDNWDYT STQPMILADI KIAGKPRKVI LHAPKNGFFF VLDRTNGKFI DATA SEQUENCE SAKNFVPVNW ASGYDKHGKP IGIAAARDGS KPQDAVPGPY GAHNWHPMSF DATA SEQUENCE NPQTGLVYLP AQNVPVNLMD DKKWEFNQAG PGKPQSGTGW NTAKFFNAEP DATA SEQUENCE PKSKPFGRLL AWDPVAQKAA WSVEHVSPWN GGTLTTAGNV VFQGTADGRL DATA SEQUENCE VAYHAATGEK LXEAPTGTGV VAAPSTYMVD GRQYVSVAVG WGGVYGLAAR DATA SEQUENCE ATERQGPGTV YTFVVGGKAR MPEXXXXXTG QLLQGVKYDP AKVEAGTMLY DATA SEQUENCE VANCVFCHGV PGVDRGGNIP NLGYMDASYI ENLPNFVFKG PAMVRGMPDF DATA SEQUENCE TGKLSGDDVE SLKAFIQGTA DAIRP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.700 174.700 -0.000 0.000 1.109 1 T CA 0.000 62.102 62.100 0.002 0.000 1.349 1 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 2 G N 2.285 111.079 108.800 -0.010 0.000 2.404 2 G HA2 -0.014 3.945 3.960 -0.002 0.000 0.215 2 G HA3 -0.014 3.945 3.960 -0.002 0.000 0.215 2 G C -1.022 173.866 174.900 -0.019 0.000 1.174 2 G CA 1.337 46.429 45.100 -0.014 0.000 0.780 2 G HN 0.447 nan 8.290 nan 0.000 0.537 3 P HA -0.032 nan 4.420 nan 0.000 0.215 3 P C 2.248 179.540 177.300 -0.013 0.000 1.157 3 P CA 2.006 65.076 63.100 -0.050 0.000 0.868 3 P CB -0.108 31.546 31.700 -0.076 0.000 0.788 4 A N -0.093 122.741 122.820 0.022 0.000 1.902 4 A HA -0.107 4.212 4.320 -0.002 0.000 0.217 4 A C 2.307 179.923 177.584 0.053 0.000 1.181 4 A CA 2.091 54.170 52.037 0.070 0.000 0.623 4 A CB -1.615 17.431 19.000 0.076 0.000 0.818 4 A HN 0.188 nan 8.150 nan 0.000 0.443 5 A N -0.838 121.998 122.820 0.026 0.000 1.930 5 A HA -0.163 4.156 4.320 -0.002 0.000 0.217 5 A C 2.101 179.694 177.584 0.015 0.000 1.175 5 A CA 1.542 53.590 52.037 0.018 0.000 0.627 5 A CB -0.491 18.514 19.000 0.008 0.000 0.815 5 A HN 0.650 nan 8.150 nan 0.000 0.443 6 Q N -0.606 119.199 119.800 0.007 0.000 2.119 6 Q HA -0.079 4.260 4.340 -0.002 0.000 0.201 6 Q C 2.421 178.429 176.000 0.014 0.000 0.972 6 Q CA 1.305 57.109 55.803 0.001 0.000 0.847 6 Q CB -0.364 28.363 28.738 -0.018 0.000 0.903 6 Q HN 0.686 nan 8.270 nan 0.000 0.433 7 A N 1.105 123.945 122.820 0.033 0.000 1.902 7 A HA -0.124 4.195 4.320 -0.002 0.000 0.217 7 A C 2.294 179.941 177.584 0.105 0.000 1.181 7 A CA 1.579 53.673 52.037 0.096 0.000 0.623 7 A CB -0.819 18.272 19.000 0.152 0.000 0.818 7 A HN 0.396 nan 8.150 nan 0.000 0.443 8 A N -0.088 122.776 122.820 0.074 0.000 1.877 8 A HA 0.139 4.458 4.320 -0.002 0.000 0.216 8 A C 2.530 180.116 177.584 0.003 0.000 1.186 8 A CA 2.260 54.320 52.037 0.039 0.000 0.620 8 A CB -1.095 17.920 19.000 0.024 0.000 0.822 8 A HN 1.075 nan 8.150 nan 0.000 0.443 9 A N -0.287 122.534 122.820 0.000 0.000 1.902 9 A HA 0.183 4.502 4.320 -0.002 0.000 0.217 9 A C 2.508 180.065 177.584 -0.045 0.000 1.181 9 A CA 2.108 54.133 52.037 -0.020 0.000 0.623 9 A CB -1.005 17.991 19.000 -0.007 0.000 0.818 9 A HN 1.035 nan 8.150 nan 0.000 0.443 10 A N -0.575 122.228 122.820 -0.028 0.000 1.877 10 A HA -0.006 4.313 4.320 -0.002 0.000 0.216 10 A C 2.179 179.680 177.584 -0.138 0.000 1.186 10 A CA 1.864 53.865 52.037 -0.059 0.000 0.620 10 A CB -0.925 18.075 19.000 0.000 0.000 0.822 10 A HN 0.440 nan 8.150 nan 0.000 0.443 11 V N -0.111 119.760 119.914 -0.071 0.000 2.667 11 V HA -0.202 3.917 4.120 -0.002 0.000 0.252 11 V C 2.603 178.598 176.094 -0.165 0.000 1.065 11 V CA 2.008 64.241 62.300 -0.112 0.000 1.083 11 V CB -0.703 31.085 31.823 -0.058 0.000 0.692 11 V HN 0.674 nan 8.190 nan 0.000 0.468 12 Q N 1.006 120.726 119.800 -0.132 0.000 2.181 12 Q HA -0.186 4.153 4.340 -0.002 0.000 0.205 12 Q C 2.171 178.037 176.000 -0.223 0.000 0.980 12 Q CA 1.729 57.447 55.803 -0.142 0.000 0.862 12 Q CB -0.338 28.346 28.738 -0.090 0.000 0.905 12 Q HN 0.563 nan 8.270 nan 0.000 0.429 13 R N -1.067 119.258 120.500 -0.291 0.000 2.276 13 R HA 0.095 4.434 4.340 -0.002 0.000 0.203 13 R C -0.146 175.792 176.300 -0.603 0.000 1.017 13 R CA 0.194 56.061 56.100 -0.389 0.000 1.010 13 R CB 0.259 30.299 30.300 -0.433 0.000 0.900 13 R HN 0.009 nan 8.270 nan 0.000 0.469 14 V N 3.326 122.880 119.914 -0.599 0.000 2.439 14 V HA 0.054 4.173 4.120 -0.002 0.000 0.271 14 V C -0.279 175.534 176.094 -0.467 0.000 1.040 14 V CA -0.031 61.964 62.300 -0.508 0.000 1.002 14 V CB 0.476 32.128 31.823 -0.286 0.000 1.000 14 V HN 0.339 nan 8.190 nan 0.000 0.477 15 D N 2.977 123.192 120.400 -0.308 0.000 2.759 15 D HA 0.391 5.030 4.640 -0.002 0.000 0.321 15 D C 1.085 177.424 176.300 0.065 0.000 1.267 15 D CA 0.005 53.629 54.000 -0.626 0.000 0.933 15 D CB 0.931 41.320 40.800 -0.685 0.000 1.431 15 D HN 0.307 nan 8.370 nan 0.000 0.504 16 G N -0.655 108.335 108.800 0.317 0.000 2.440 16 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.218 16 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.218 16 G C 0.833 175.941 174.900 0.347 0.000 1.154 16 G CA 1.053 46.497 45.100 0.573 0.000 0.767 16 G HN 0.518 nan 8.290 nan 0.000 0.552 17 D N -0.178 120.358 120.400 0.226 0.000 2.144 17 D HA -0.083 4.556 4.640 -0.002 0.000 0.200 17 D C 1.929 178.307 176.300 0.131 0.000 0.978 17 D CA 0.409 54.503 54.000 0.157 0.000 0.833 17 D CB -0.317 40.553 40.800 0.117 0.000 0.961 17 D HN 0.338 nan 8.370 nan 0.000 0.470 18 F N 1.351 121.307 119.950 0.010 0.000 2.113 18 F HA -0.099 4.427 4.527 -0.001 0.000 0.297 18 F C 2.148 177.938 175.800 -0.016 0.000 1.103 18 F CA 1.063 59.056 58.000 -0.011 0.000 1.248 18 F CB -0.185 38.790 39.000 -0.041 0.000 0.999 18 F HN -0.157 nan 8.300 nan 0.000 0.475 19 I N 0.085 120.710 120.570 0.090 0.000 2.286 19 I HA -0.295 3.874 4.170 -0.002 0.000 0.248 19 I C 2.541 178.561 176.117 -0.161 0.000 1.115 19 I CA 1.295 62.531 61.300 -0.107 0.000 1.392 19 I CB -0.485 37.351 38.000 -0.272 0.000 1.065 19 I HN 0.099 nan 8.210 nan 0.000 0.418 20 R N 0.600 121.069 120.500 -0.052 0.000 2.075 20 R HA -0.078 4.261 4.340 -0.002 0.000 0.232 20 R C 2.450 178.698 176.300 -0.086 0.000 1.126 20 R CA 1.411 57.494 56.100 -0.028 0.000 0.963 20 R CB -0.389 29.942 30.300 0.051 0.000 0.858 20 R HN 0.343 nan 8.270 nan 0.000 0.435 21 A N 1.028 123.770 122.820 -0.131 0.000 2.019 21 A HA -0.196 4.123 4.320 -0.002 0.000 0.219 21 A C 1.786 179.233 177.584 -0.228 0.000 1.164 21 A CA 1.631 53.574 52.037 -0.156 0.000 0.644 21 A CB -0.543 18.362 19.000 -0.158 0.000 0.805 21 A HN 0.319 nan 8.150 nan 0.000 0.449 22 N N 0.110 118.599 118.700 -0.353 0.000 2.331 22 N HA -0.003 4.736 4.740 -0.002 0.000 0.180 22 N C 1.662 177.074 175.510 -0.163 0.000 1.019 22 N CA 1.351 54.206 53.050 -0.325 0.000 0.881 22 N CB -0.345 37.880 38.487 -0.437 0.000 0.972 22 N HN 0.349 nan 8.380 nan 0.000 0.435 23 A N -0.008 122.736 122.820 -0.126 0.000 1.916 23 A HA -0.043 4.276 4.320 -0.002 0.000 0.224 23 A C 1.479 179.051 177.584 -0.019 0.000 1.366 23 A CA 3.105 55.105 52.037 -0.062 0.000 0.692 23 A CB -1.049 17.933 19.000 -0.029 0.000 0.841 23 A HN 0.890 nan 8.150 nan 0.000 0.480 24 A N -4.610 118.206 122.820 -0.007 0.000 3.567 24 A HA 0.078 4.397 4.320 -0.002 0.000 0.082 24 A C 1.127 178.703 177.584 -0.013 0.000 1.298 24 A CA 0.631 52.659 52.037 -0.015 0.000 1.179 24 A CB -1.036 17.933 19.000 -0.052 0.000 0.823 24 A HN 0.396 nan 8.150 nan 0.000 0.395 25 R N 1.015 121.499 120.500 -0.027 0.000 2.365 25 R HA 0.280 4.619 4.340 -0.002 0.000 0.223 25 R C 0.348 176.639 176.300 -0.014 0.000 0.899 25 R CA 1.036 57.126 56.100 -0.017 0.000 1.059 25 R CB 0.302 30.597 30.300 -0.008 0.000 1.086 25 R HN 1.524 nan 8.270 nan 0.000 0.522 26 T N -0.252 114.287 114.554 -0.026 0.000 3.473 26 T HA -0.132 4.217 4.350 -0.002 0.000 0.403 26 T C -1.494 173.252 174.700 0.077 0.000 0.768 26 T CA 0.372 62.475 62.100 0.004 0.000 2.009 26 T CB -0.903 67.968 68.868 0.004 0.000 1.715 26 T HN 0.174 nan 8.240 nan 0.000 0.666 27 P HA 0.109 nan 4.420 nan 0.000 0.225 27 P C 0.249 177.686 177.300 0.228 0.000 1.156 27 P CA 0.769 63.949 63.100 0.135 0.000 0.787 27 P CB 0.300 32.063 31.700 0.106 0.000 0.802 28 D N -1.313 119.216 120.400 0.214 0.000 2.340 28 D HA 0.169 4.808 4.640 -0.002 0.000 0.243 28 D C -0.735 175.777 176.300 0.353 0.000 0.988 28 D CA -0.286 53.894 54.000 0.300 0.000 0.959 28 D CB 1.337 42.328 40.800 0.318 0.000 1.226 28 D HN 0.052 nan 8.370 nan 0.000 0.509 29 W N 3.684 125.087 121.300 0.171 0.000 2.416 29 W HA 0.200 4.859 4.660 -0.001 0.000 0.294 29 W C -2.306 174.304 176.519 0.152 0.000 0.966 29 W CA -2.118 55.321 57.345 0.156 0.000 1.686 29 W CB 1.377 30.946 29.460 0.181 0.000 1.612 29 W HN 0.250 nan 8.180 nan 0.000 0.420 30 P HA -0.034 nan 4.420 nan 0.000 0.231 30 P C 0.654 178.049 177.300 0.157 0.000 1.168 30 P CA 1.129 64.357 63.100 0.213 0.000 0.779 30 P CB 0.648 32.541 31.700 0.321 0.000 0.844 31 T N -3.484 111.099 114.554 0.048 0.000 2.901 31 T HA 0.447 4.796 4.350 -0.002 0.000 0.293 31 T C 1.349 176.137 174.700 0.146 0.000 1.084 31 T CA -0.857 61.302 62.100 0.099 0.000 1.008 31 T CB 1.085 69.992 68.868 0.063 0.000 1.170 31 T HN -0.055 nan 8.240 nan 0.000 0.509 32 I N -0.903 119.822 120.570 0.260 0.000 2.454 32 I HA 0.222 4.391 4.170 -0.002 0.000 0.254 32 I C 1.741 178.137 176.117 0.465 0.000 1.156 32 I CA 1.304 62.854 61.300 0.416 0.000 1.433 32 I CB -0.558 37.634 38.000 0.319 0.000 1.082 32 I HN 0.727 nan 8.210 nan 0.000 0.432 33 G N -0.242 108.676 108.800 0.196 0.000 3.434 33 G HA2 0.337 4.296 3.960 -0.002 0.000 0.258 33 G HA3 0.337 4.296 3.960 -0.002 0.000 0.258 33 G C 0.970 175.702 174.900 -0.279 0.000 1.128 33 G CA 0.443 45.616 45.100 0.122 0.000 0.792 33 G HN 0.306 nan 8.290 nan 0.000 0.539 34 V N -0.025 119.380 119.914 -0.848 0.000 0.449 34 V HA -0.310 3.809 4.120 -0.002 0.000 0.092 34 V C 0.454 176.261 176.094 -0.477 0.000 2.531 34 V CA 3.226 64.827 62.300 -1.166 0.000 3.708 34 V CB -1.140 29.794 31.823 -1.482 0.000 0.981 34 V HN 0.739 nan 8.190 nan 0.000 1.031 35 D N -2.722 117.524 120.400 -0.255 0.000 2.636 35 D HA 0.357 4.996 4.640 -0.002 0.000 0.275 35 D C 0.493 176.800 176.300 0.012 0.000 1.130 35 D CA -0.038 53.872 54.000 -0.151 0.000 1.031 35 D CB 0.338 41.091 40.800 -0.078 0.000 1.451 35 D HN 0.194 nan 8.370 nan 0.000 0.505 36 Y N -0.459 119.916 120.300 0.125 0.000 2.352 36 Y HA 0.003 4.552 4.550 -0.002 0.000 0.292 36 Y C 2.463 178.442 175.900 0.131 0.000 1.136 36 Y CA 0.888 59.103 58.100 0.192 0.000 1.227 36 Y CB 0.031 38.612 38.460 0.201 0.000 0.991 36 Y HN 0.533 nan 8.280 nan 0.000 0.545 37 A N 0.144 123.097 122.820 0.221 0.000 2.168 37 A HA -0.099 4.220 4.320 -0.002 0.000 0.215 37 A C 0.779 178.443 177.584 0.134 0.000 1.152 37 A CA 0.674 52.789 52.037 0.130 0.000 0.716 37 A CB -0.481 18.568 19.000 0.081 0.000 0.794 37 A HN 0.532 nan 8.150 nan 0.000 0.465 38 E N -0.736 119.557 120.200 0.154 0.000 2.297 38 E HA -0.217 4.132 4.350 -0.002 0.000 0.228 38 E C 0.880 177.580 176.600 0.168 0.000 1.213 38 E CA 0.506 56.997 56.400 0.152 0.000 0.712 38 E CB -2.261 27.554 29.700 0.192 0.000 1.202 38 E HN 0.896 nan 8.360 nan 0.000 0.376 39 T N -2.465 112.190 114.554 0.169 0.000 2.951 39 T HA -0.120 4.229 4.350 -0.002 0.000 0.268 39 T C 1.010 175.901 174.700 0.318 0.000 1.073 39 T CA 0.764 63.020 62.100 0.260 0.000 1.134 39 T CB -0.053 69.002 68.868 0.312 0.000 0.884 39 T HN 0.446 nan 8.240 nan 0.000 0.479 40 R N -0.283 120.370 120.500 0.255 0.000 3.525 40 R HA -0.186 4.153 4.340 -0.002 0.000 0.276 40 R C -1.060 175.565 176.300 0.542 0.000 1.116 40 R CA 0.576 56.928 56.100 0.420 0.000 0.745 40 R CB -2.538 28.063 30.300 0.503 0.000 1.185 40 R HN 0.714 nan 8.270 nan 0.000 0.454 41 Y N -0.095 120.345 120.300 0.232 0.000 2.328 41 Y HA 0.461 5.011 4.550 -0.001 0.000 0.337 41 Y C -0.326 175.694 175.900 0.200 0.000 0.966 41 Y CA -1.026 57.207 58.100 0.221 0.000 1.136 41 Y CB 1.661 40.201 38.460 0.133 0.000 1.170 41 Y HN 0.064 nan 8.280 nan 0.000 0.470 42 S N 4.730 120.338 115.700 -0.154 0.000 2.508 42 S HA 0.413 4.882 4.470 -0.002 0.000 0.284 42 S C 0.593 174.789 174.600 -0.673 0.000 1.192 42 S CA -0.710 57.376 58.200 -0.190 0.000 1.070 42 S CB 0.836 64.106 63.200 0.115 0.000 1.004 42 S HN 0.837 nan 8.310 nan 0.000 0.493 43 R N 2.601 122.837 120.500 -0.439 0.000 2.310 43 R HA 0.347 4.686 4.340 -0.002 0.000 0.202 43 R C -0.084 176.127 176.300 -0.149 0.000 0.933 43 R CA 0.140 56.039 56.100 -0.335 0.000 1.054 43 R CB -0.460 29.756 30.300 -0.139 0.000 0.985 43 R HN 0.558 nan 8.270 nan 0.000 0.489 44 L N 2.030 123.193 121.223 -0.100 0.000 2.416 44 L HA 0.075 4.414 4.340 -0.002 0.000 0.272 44 L C 0.309 177.155 176.870 -0.041 0.000 1.161 44 L CA 0.175 54.990 54.840 -0.042 0.000 0.845 44 L CB 0.653 42.703 42.059 -0.015 0.000 1.119 44 L HN 0.233 nan 8.230 nan 0.000 0.464 45 D N 0.446 120.830 120.400 -0.027 0.000 2.620 45 D HA -0.038 4.601 4.640 -0.002 0.000 0.260 45 D C 0.977 177.263 176.300 -0.023 0.000 1.367 45 D CA -0.295 53.693 54.000 -0.020 0.000 0.805 45 D CB 0.213 41.007 40.800 -0.011 0.000 1.096 45 D HN 0.532 nan 8.370 nan 0.000 0.488 46 Q N 0.425 120.206 119.800 -0.032 0.000 2.084 46 Q HA 0.004 4.343 4.340 -0.002 0.000 0.202 46 Q C 0.303 176.276 176.000 -0.045 0.000 0.978 46 Q CA 0.829 56.607 55.803 -0.042 0.000 0.844 46 Q CB 0.216 28.918 28.738 -0.060 0.000 0.898 46 Q HN 0.367 nan 8.270 nan 0.000 0.426 47 I N 2.527 123.072 120.570 -0.042 0.000 2.352 47 I HA 0.102 4.271 4.170 -0.002 0.000 0.290 47 I C -0.460 175.649 176.117 -0.013 0.000 1.036 47 I CA -0.549 60.739 61.300 -0.021 0.000 1.336 47 I CB 0.718 38.728 38.000 0.016 0.000 1.407 47 I HN 0.325 nan 8.210 nan 0.000 0.497 48 N N 4.551 123.230 118.700 -0.035 0.000 3.102 48 N HA 0.534 5.273 4.740 -0.002 0.000 0.299 48 N C 0.332 175.789 175.510 -0.088 0.000 1.482 48 N CA -0.636 52.380 53.050 -0.057 0.000 0.785 48 N CB 0.854 39.317 38.487 -0.041 0.000 1.680 48 N HN 0.350 nan 8.380 nan 0.000 0.594 49 A N -0.712 122.040 122.820 -0.113 0.000 2.019 49 A HA 0.117 4.436 4.320 -0.002 0.000 0.219 49 A C 1.934 179.486 177.584 -0.054 0.000 1.164 49 A CA 1.878 53.845 52.037 -0.117 0.000 0.644 49 A CB -1.422 17.509 19.000 -0.114 0.000 0.805 49 A HN 0.811 nan 8.150 nan 0.000 0.449 50 A N 0.633 123.432 122.820 -0.036 0.000 2.021 50 A HA -0.044 4.275 4.320 -0.002 0.000 0.216 50 A C 1.581 179.143 177.584 -0.036 0.000 1.163 50 A CA 1.494 53.514 52.037 -0.027 0.000 0.676 50 A CB -0.317 18.673 19.000 -0.017 0.000 0.818 50 A HN 0.712 nan 8.150 nan 0.000 0.453 51 N N -1.223 117.452 118.700 -0.042 0.000 2.171 51 N HA 0.025 4.764 4.740 -0.002 0.000 0.212 51 N C 0.842 176.323 175.510 -0.047 0.000 1.184 51 N CA 0.685 53.710 53.050 -0.041 0.000 0.888 51 N CB -0.297 38.169 38.487 -0.035 0.000 1.038 51 N HN 0.062 nan 8.380 nan 0.000 0.517 52 V N 1.945 121.821 119.914 -0.064 0.000 2.720 52 V HA -0.202 3.917 4.120 -0.002 0.000 0.256 52 V C 2.141 178.188 176.094 -0.079 0.000 1.082 52 V CA 2.046 64.304 62.300 -0.070 0.000 1.101 52 V CB -0.581 31.166 31.823 -0.126 0.000 0.693 52 V HN 0.548 nan 8.190 nan 0.000 0.479 53 K N -0.932 119.420 120.400 -0.081 0.000 2.360 53 K HA -0.160 4.159 4.320 -0.002 0.000 0.201 53 K C 0.887 177.456 176.600 -0.051 0.000 1.046 53 K CA 1.809 58.050 56.287 -0.076 0.000 0.945 53 K CB -0.285 32.175 32.500 -0.067 0.000 0.750 53 K HN 0.375 nan 8.250 nan 0.000 0.464 54 D N 0.955 121.332 120.400 -0.038 0.000 2.342 54 D HA 0.165 4.804 4.640 -0.002 0.000 0.221 54 D C -0.031 176.267 176.300 -0.004 0.000 1.101 54 D CA -0.067 53.921 54.000 -0.020 0.000 0.837 54 D CB 0.140 40.928 40.800 -0.019 0.000 0.938 54 D HN 0.156 nan 8.370 nan 0.000 0.508 55 L N 0.669 121.890 121.223 -0.005 0.000 2.490 55 L HA 0.342 4.681 4.340 -0.002 0.000 0.274 55 L C 1.102 178.032 176.870 0.101 0.000 1.201 55 L CA 0.147 55.011 54.840 0.039 0.000 0.869 55 L CB 0.789 42.855 42.059 0.012 0.000 1.123 55 L HN 0.010 nan 8.230 nan 0.000 0.484 56 G N 2.837 111.742 108.800 0.175 0.000 2.694 56 G HA2 0.491 4.450 3.960 -0.002 0.000 0.290 56 G HA3 0.491 4.450 3.960 -0.002 0.000 0.290 56 G C -1.688 173.359 174.900 0.244 0.000 1.386 56 G CA -0.817 44.412 45.100 0.215 0.000 0.872 56 G HN 0.376 nan 8.290 nan 0.000 0.475 57 L N 1.366 122.653 121.223 0.108 0.000 2.418 57 L HA 0.541 4.880 4.340 -0.002 0.000 0.274 57 L C 1.496 178.301 176.870 -0.109 0.000 1.135 57 L CA 0.531 55.242 54.840 -0.215 0.000 0.870 57 L CB 0.970 42.920 42.059 -0.182 0.000 1.154 57 L HN 0.679 nan 8.230 nan 0.000 0.462 58 A N 6.560 129.281 122.820 -0.165 0.000 1.878 58 A HA 0.195 4.514 4.320 -0.002 0.000 0.213 58 A C 0.183 177.839 177.584 0.121 0.000 1.192 58 A CA 1.081 53.140 52.037 0.036 0.000 0.619 58 A CB -0.074 19.031 19.000 0.176 0.000 0.837 58 A HN 0.832 nan 8.150 nan 0.000 0.446 59 W N -2.330 118.913 121.300 -0.095 0.000 3.057 59 W HA 0.554 5.213 4.660 -0.002 0.000 0.328 59 W C -1.148 175.287 176.519 -0.140 0.000 1.232 59 W CA -0.230 57.058 57.345 -0.094 0.000 1.187 59 W CB 0.204 29.617 29.460 -0.078 0.000 1.417 59 W HN 0.433 nan 8.180 nan 0.000 0.569 60 S N 0.551 116.380 115.700 0.215 0.000 2.569 60 S HA 0.784 5.253 4.470 -0.002 0.000 0.280 60 S C -1.972 172.781 174.600 0.256 0.000 1.111 60 S CA -0.665 57.545 58.200 0.017 0.000 0.887 60 S CB 3.122 66.152 63.200 -0.283 0.000 1.095 60 S HN 0.718 nan 8.310 nan 0.000 0.476 61 Y N 1.782 122.102 120.300 0.033 0.000 2.406 61 Y HA 0.561 5.110 4.550 -0.002 0.000 0.340 61 Y C -0.861 174.986 175.900 -0.087 0.000 0.975 61 Y CA -0.747 57.370 58.100 0.028 0.000 1.056 61 Y CB 1.637 40.177 38.460 0.133 0.000 1.210 61 Y HN 0.846 nan 8.280 nan 0.000 0.448 62 N N 5.944 124.289 118.700 -0.591 0.000 2.406 62 N HA 0.159 4.898 4.740 -0.002 0.000 0.251 62 N C 0.142 175.331 175.510 -0.535 0.000 1.069 62 N CA 0.184 52.971 53.050 -0.439 0.000 0.947 62 N CB 0.779 39.071 38.487 -0.325 0.000 1.111 62 N HN 0.978 nan 8.380 nan 0.000 0.497 63 L N 2.822 123.892 121.223 -0.254 0.000 2.395 63 L HA 0.058 4.397 4.340 -0.002 0.000 0.218 63 L C 0.689 177.517 176.870 -0.071 0.000 1.130 63 L CA 0.397 55.084 54.840 -0.254 0.000 0.826 63 L CB -0.285 41.676 42.059 -0.163 0.000 0.941 63 L HN 0.644 nan 8.230 nan 0.000 0.451 64 E N -1.072 119.096 120.200 -0.053 0.000 3.799 64 E HA -0.206 4.143 4.350 -0.002 0.000 0.320 64 E C 0.456 177.094 176.600 0.063 0.000 0.760 64 E CA 0.539 56.945 56.400 0.011 0.000 1.153 64 E CB -1.406 28.316 29.700 0.036 0.000 1.589 64 E HN 0.647 nan 8.360 nan 0.000 0.448 65 S N -0.447 115.301 115.700 0.080 0.000 2.645 65 S HA 0.460 4.929 4.470 -0.002 0.000 0.266 65 S C 1.029 175.695 174.600 0.110 0.000 1.258 65 S CA 0.059 58.331 58.200 0.121 0.000 0.990 65 S CB 1.640 64.915 63.200 0.124 0.000 0.967 65 S HN 0.261 nan 8.310 nan 0.000 0.556 66 T N -2.806 111.825 114.554 0.130 0.000 3.058 66 T HA 0.355 4.704 4.350 -0.002 0.000 0.278 66 T C 0.598 175.367 174.700 0.115 0.000 0.974 66 T CA -0.553 61.620 62.100 0.122 0.000 0.893 66 T CB 0.106 69.045 68.868 0.119 0.000 1.138 66 T HN 0.406 nan 8.240 nan 0.000 0.529 67 R N 1.103 121.652 120.500 0.082 0.000 2.893 67 R HA 0.714 5.053 4.340 -0.002 0.000 0.223 67 R C 0.786 177.095 176.300 0.015 0.000 1.433 67 R CA -0.459 55.647 56.100 0.010 0.000 1.063 67 R CB -0.263 29.958 30.300 -0.131 0.000 1.758 67 R HN 0.288 nan 8.270 nan 0.000 0.524 68 G N 0.035 108.811 108.800 -0.040 0.000 2.491 68 G HA2 0.319 4.278 3.960 -0.002 0.000 0.242 68 G HA3 0.319 4.278 3.960 -0.002 0.000 0.242 68 G C -0.700 174.212 174.900 0.020 0.000 1.266 68 G CA -0.281 44.829 45.100 0.016 0.000 0.844 68 G HN 0.149 nan 8.290 nan 0.000 0.571 69 V N 2.146 122.118 119.914 0.098 0.000 2.380 69 V HA 0.282 4.401 4.120 -0.002 0.000 0.286 69 V C 0.284 176.455 176.094 0.129 0.000 1.015 69 V CA -0.407 61.952 62.300 0.099 0.000 0.834 69 V CB 1.316 33.221 31.823 0.138 0.000 1.009 69 V HN 0.979 nan 8.190 nan 0.000 0.428 70 E N 2.776 122.986 120.200 0.017 0.000 2.498 70 E HA 0.336 4.685 4.350 -0.002 0.000 0.203 70 E C 0.763 177.411 176.600 0.080 0.000 1.013 70 E CA -0.022 56.349 56.400 -0.049 0.000 0.927 70 E CB 1.331 30.611 29.700 -0.700 0.000 1.012 70 E HN 0.740 nan 8.360 nan 0.000 0.482 71 A N 1.372 124.253 122.820 0.101 0.000 2.354 71 A HA 0.338 4.657 4.320 -0.002 0.000 0.269 71 A C 0.210 177.902 177.584 0.180 0.000 1.109 71 A CA -0.163 51.960 52.037 0.142 0.000 0.800 71 A CB 0.605 19.679 19.000 0.124 0.000 1.045 71 A HN -0.074 nan 8.150 nan 0.000 0.489 72 T N 4.405 119.085 114.554 0.210 0.000 2.817 72 T HA 0.474 4.823 4.350 -0.002 0.000 0.293 72 T C -2.474 172.321 174.700 0.159 0.000 0.964 72 T CA -0.569 61.642 62.100 0.184 0.000 1.085 72 T CB 0.819 69.846 68.868 0.266 0.000 0.921 72 T HN 0.453 nan 8.240 nan 0.000 0.502 73 P HA 0.255 nan 4.420 nan 0.000 0.275 73 P C -0.640 176.737 177.300 0.128 0.000 1.227 73 P CA -0.571 62.572 63.100 0.072 0.000 0.781 73 P CB 0.450 32.147 31.700 -0.005 0.000 0.906 74 V N 1.179 121.213 119.914 0.201 0.000 2.532 74 V HA 0.735 4.854 4.120 -0.002 0.000 0.295 74 V C -0.471 175.716 176.094 0.155 0.000 1.041 74 V CA -0.761 61.723 62.300 0.307 0.000 0.926 74 V CB 1.822 33.837 31.823 0.318 0.000 0.992 74 V HN 0.220 nan 8.190 nan 0.000 0.457 75 V N 3.857 123.855 119.914 0.139 0.000 2.668 75 V HA 0.621 4.740 4.120 -0.002 0.000 0.304 75 V C -0.604 175.536 176.094 0.076 0.000 1.071 75 V CA -0.424 61.835 62.300 -0.069 0.000 0.894 75 V CB 1.914 33.381 31.823 -0.593 0.000 1.008 75 V HN 0.838 nan 8.190 nan 0.000 0.425 76 V N 2.851 122.806 119.914 0.068 0.000 2.623 76 V HA 0.487 4.606 4.120 -0.002 0.000 0.304 76 V C 0.127 176.266 176.094 0.075 0.000 1.054 76 V CA -0.431 61.947 62.300 0.131 0.000 0.882 76 V CB 1.610 33.495 31.823 0.104 0.000 1.002 76 V HN 1.049 nan 8.190 nan 0.000 0.424 77 D N 4.165 124.635 120.400 0.116 0.000 2.701 77 D HA -0.175 4.464 4.640 -0.002 0.000 0.235 77 D C 1.272 177.591 176.300 0.031 0.000 1.155 77 D CA 2.113 56.165 54.000 0.086 0.000 0.649 77 D CB -1.009 39.831 40.800 0.067 0.000 1.050 77 D HN 1.642 nan 8.370 nan 0.000 0.425 78 G N -1.002 107.807 108.800 0.016 0.000 2.168 78 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.263 78 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.263 78 G C 0.302 175.096 174.900 -0.175 0.000 0.977 78 G CA 0.335 45.404 45.100 -0.053 0.000 0.659 78 G HN 0.545 nan 8.290 nan 0.000 0.533 79 I N 0.975 121.434 120.570 -0.185 0.000 2.330 79 I HA 0.518 4.687 4.170 -0.002 0.000 0.289 79 I C 0.500 176.374 176.117 -0.405 0.000 1.001 79 I CA -0.877 60.242 61.300 -0.303 0.000 1.193 79 I CB 1.196 39.077 38.000 -0.199 0.000 1.345 79 I HN 0.299 nan 8.210 nan 0.000 0.461 80 M N 7.259 126.521 119.600 -0.563 0.000 2.363 80 M HA 0.474 4.953 4.480 -0.002 0.000 0.343 80 M C -1.913 173.945 176.300 -0.736 0.000 1.165 80 M CA -0.299 54.704 55.300 -0.494 0.000 1.046 80 M CB 1.642 34.024 32.600 -0.363 0.000 1.648 80 M HN 0.378 nan 8.290 nan 0.000 0.452 81 Y N 3.152 123.351 120.300 -0.168 0.000 2.373 81 Y HA 0.722 5.271 4.550 -0.002 0.000 0.336 81 Y C -0.766 175.099 175.900 -0.059 0.000 0.979 81 Y CA -0.740 57.264 58.100 -0.159 0.000 1.080 81 Y CB 2.133 40.530 38.460 -0.106 0.000 1.190 81 Y HN 0.508 nan 8.280 nan 0.000 0.446 82 V N 2.882 122.850 119.914 0.089 0.000 3.048 82 V HA 0.683 4.802 4.120 -0.002 0.000 0.303 82 V C -0.963 175.232 176.094 0.169 0.000 1.214 82 V CA -0.597 61.771 62.300 0.114 0.000 0.984 82 V CB 2.421 34.277 31.823 0.055 0.000 1.054 82 V HN 0.829 nan 8.190 nan 0.000 0.430 83 S N 4.901 120.705 115.700 0.172 0.000 2.690 83 S HA 0.980 5.449 4.470 -0.002 0.000 0.291 83 S C 0.021 174.728 174.600 0.179 0.000 1.138 83 S CA 0.069 58.394 58.200 0.208 0.000 1.013 83 S CB 1.973 65.275 63.200 0.171 0.000 1.053 83 S HN 1.725 nan 8.310 nan 0.000 0.539 84 A N 1.276 124.221 122.820 0.208 0.000 3.509 84 A HA 0.868 5.187 4.320 -0.002 0.000 0.188 84 A C 0.152 177.800 177.584 0.108 0.000 1.116 84 A CA -0.830 51.296 52.037 0.147 0.000 0.859 84 A CB -0.150 18.950 19.000 0.167 0.000 1.471 84 A HN 0.820 nan 8.150 nan 0.000 0.606 85 S N -1.756 113.997 115.700 0.088 0.000 2.593 85 S HA 0.324 4.793 4.470 -0.002 0.000 0.269 85 S C -0.664 173.995 174.600 0.098 0.000 1.334 85 S CA 0.441 58.627 58.200 -0.023 0.000 1.015 85 S CB -0.389 62.776 63.200 -0.058 0.000 0.912 85 S HN 0.798 nan 8.310 nan 0.000 0.541 86 W N 0.496 121.708 121.300 -0.146 0.000 4.849 86 W HA -0.289 4.370 4.660 -0.002 0.000 0.358 86 W C 0.828 177.311 176.519 -0.060 0.000 1.331 86 W CA 0.415 57.648 57.345 -0.188 0.000 0.844 86 W CB -2.712 26.643 29.460 -0.175 0.000 2.434 86 W HN 0.835 nan 8.180 nan 0.000 1.458 87 S N -3.204 112.590 115.700 0.155 0.000 3.476 87 S HA -0.187 4.282 4.470 -0.002 0.000 0.309 87 S C 0.242 174.952 174.600 0.183 0.000 1.222 87 S CA 0.638 58.944 58.200 0.176 0.000 0.922 87 S CB -1.816 61.507 63.200 0.205 0.000 1.023 87 S HN 0.348 nan 8.310 nan 0.000 0.591 88 V N 1.685 121.711 119.914 0.186 0.000 2.614 88 V HA 0.336 4.455 4.120 -0.002 0.000 0.291 88 V C 0.676 176.912 176.094 0.237 0.000 1.049 88 V CA -0.304 62.095 62.300 0.165 0.000 1.038 88 V CB 1.504 33.426 31.823 0.166 0.000 0.980 88 V HN 0.292 nan 8.190 nan 0.000 0.481 89 V N 5.184 125.234 119.914 0.228 0.000 2.483 89 V HA 0.460 4.579 4.120 -0.002 0.000 0.295 89 V C -0.222 175.923 176.094 0.085 0.000 1.035 89 V CA -0.647 61.816 62.300 0.272 0.000 0.896 89 V CB 1.428 33.492 31.823 0.402 0.000 0.986 89 V HN 0.838 nan 8.190 nan 0.000 0.447 90 H N 2.719 121.811 119.070 0.035 0.000 2.495 90 H HA 0.699 5.254 4.556 -0.002 0.000 0.348 90 H C -0.290 174.744 175.328 -0.491 0.000 1.113 90 H CA -0.463 55.499 56.048 -0.144 0.000 1.195 90 H CB 2.307 32.028 29.762 -0.069 0.000 1.521 90 H HN 0.743 nan 8.280 nan 0.000 0.509 91 A N 4.623 126.960 122.820 -0.805 0.000 2.287 91 A HA 0.572 4.891 4.320 -0.002 0.000 0.317 91 A C -0.384 176.700 177.584 -0.833 0.000 1.220 91 A CA -0.559 50.771 52.037 -1.179 0.000 0.835 91 A CB 0.277 18.074 19.000 -2.006 0.000 1.180 91 A HN 0.613 nan 8.150 nan 0.000 0.500 92 I N 1.757 121.855 120.570 -0.787 0.000 2.465 92 I HA 0.247 4.416 4.170 -0.002 0.000 0.291 92 I C -0.818 174.941 176.117 -0.597 0.000 1.014 92 I CA -0.688 60.197 61.300 -0.691 0.000 1.093 92 I CB 2.224 39.754 38.000 -0.782 0.000 1.267 92 I HN 0.614 nan 8.210 nan 0.000 0.431 93 D N 4.006 124.096 120.400 -0.516 0.000 2.365 93 D HA 0.055 4.694 4.640 -0.002 0.000 0.237 93 D C 1.310 177.278 176.300 -0.554 0.000 1.190 93 D CA -0.186 53.555 54.000 -0.432 0.000 0.867 93 D CB 1.206 41.812 40.800 -0.323 0.000 1.050 93 D HN 0.690 nan 8.370 nan 0.000 0.491 94 T N 1.583 115.859 114.554 -0.463 0.000 3.051 94 T HA -0.084 4.265 4.350 -0.002 0.000 0.269 94 T C 1.607 176.031 174.700 -0.460 0.000 1.127 94 T CA 0.615 62.428 62.100 -0.478 0.000 1.107 94 T CB -0.053 68.790 68.868 -0.042 0.000 0.898 94 T HN 0.344 nan 8.240 nan 0.000 0.517 95 R N 0.953 121.256 120.500 -0.330 0.000 2.189 95 R HA 0.034 4.373 4.340 -0.002 0.000 0.218 95 R C 2.392 178.535 176.300 -0.263 0.000 1.074 95 R CA 1.591 57.556 56.100 -0.224 0.000 0.991 95 R CB -0.148 30.072 30.300 -0.134 0.000 0.883 95 R HN 0.725 nan 8.270 nan 0.000 0.457 96 T N -5.725 108.595 114.554 -0.390 0.000 2.958 96 T HA 0.222 4.571 4.350 -0.002 0.000 0.256 96 T C 1.333 175.725 174.700 -0.514 0.000 0.983 96 T CA 0.433 62.329 62.100 -0.340 0.000 0.924 96 T CB 1.166 69.890 68.868 -0.240 0.000 1.136 96 T HN 0.250 nan 8.240 nan 0.000 0.506 97 G N 2.030 110.254 108.800 -0.960 0.000 2.162 97 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.260 97 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.260 97 G C -0.183 174.389 174.900 -0.547 0.000 0.976 97 G CA 0.004 44.344 45.100 -1.268 0.000 0.655 97 G HN 0.645 nan 8.290 nan 0.000 0.533 98 N N -0.122 118.338 118.700 -0.399 0.000 2.492 98 N HA 0.446 5.185 4.740 -0.002 0.000 0.289 98 N C 0.448 175.867 175.510 -0.152 0.000 1.133 98 N CA -0.702 52.253 53.050 -0.159 0.000 0.961 98 N CB 0.998 39.410 38.487 -0.125 0.000 1.186 98 N HN 0.479 nan 8.380 nan 0.000 0.493 99 R N 1.221 121.756 120.500 0.058 0.000 2.623 99 R HA 0.104 4.443 4.340 -0.002 0.000 0.271 99 R C 0.679 176.934 176.300 -0.075 0.000 1.043 99 R CA 0.206 56.327 56.100 0.035 0.000 1.083 99 R CB 0.270 30.701 30.300 0.218 0.000 0.974 99 R HN 0.614 nan 8.270 nan 0.000 0.436 100 I N 3.471 123.939 120.570 -0.170 0.000 2.899 100 I HA 0.205 4.374 4.170 -0.002 0.000 0.257 100 I C 0.240 176.413 176.117 0.093 0.000 1.115 100 I CA 0.173 61.410 61.300 -0.104 0.000 1.451 100 I CB 0.119 37.976 38.000 -0.238 0.000 1.251 100 I HN 0.617 nan 8.210 nan 0.000 0.456 101 W N -0.932 120.351 121.300 -0.030 0.000 2.989 101 W HA 0.547 5.206 4.660 -0.002 0.000 0.344 101 W C -1.488 175.022 176.519 -0.016 0.000 1.233 101 W CA -0.702 56.639 57.345 -0.007 0.000 1.187 101 W CB 1.109 30.572 29.460 0.005 0.000 1.443 101 W HN -0.434 nan 8.180 nan 0.000 0.573 102 T N 1.707 116.549 114.554 0.481 0.000 2.886 102 T HA 0.430 4.779 4.350 -0.002 0.000 0.292 102 T C -2.036 172.889 174.700 0.375 0.000 1.012 102 T CA -0.334 61.910 62.100 0.240 0.000 0.982 102 T CB 1.683 70.536 68.868 -0.024 0.000 1.018 102 T HN 0.369 nan 8.240 nan 0.000 0.451 103 Y N 3.494 123.953 120.300 0.264 0.000 2.328 103 Y HA 0.553 5.102 4.550 -0.002 0.000 0.333 103 Y C -0.868 175.056 175.900 0.040 0.000 0.958 103 Y CA -1.085 57.074 58.100 0.098 0.000 1.167 103 Y CB 1.045 39.538 38.460 0.056 0.000 1.151 103 Y HN 0.445 nan 8.280 nan 0.000 0.470 104 D N 8.717 128.708 120.400 -0.680 0.000 2.414 104 D HA 0.319 4.958 4.640 -0.002 0.000 0.232 104 D C -2.052 173.762 176.300 -0.810 0.000 1.070 104 D CA -2.504 51.181 54.000 -0.526 0.000 0.839 104 D CB 2.126 42.760 40.800 -0.277 0.000 1.079 104 D HN 0.394 nan 8.370 nan 0.000 0.521 105 P HA -0.058 nan 4.420 nan 0.000 0.242 105 P C -0.412 176.774 177.300 -0.189 0.000 1.197 105 P CA 0.380 63.272 63.100 -0.347 0.000 0.765 105 P CB 0.175 31.878 31.700 0.006 0.000 0.936 106 Q N -0.575 119.108 119.800 -0.194 0.000 2.460 106 Q HA -0.126 4.213 4.340 -0.002 0.000 0.311 106 Q C -0.188 175.752 176.000 -0.100 0.000 1.396 106 Q CA -0.100 55.613 55.803 -0.151 0.000 0.838 106 Q CB -1.496 27.155 28.738 -0.146 0.000 1.140 106 Q HN 0.293 nan 8.270 nan 0.000 0.415 107 I N 1.034 121.567 120.570 -0.062 0.000 2.710 107 I HA -0.038 4.131 4.170 -0.002 0.000 0.286 107 I C 1.087 177.150 176.117 -0.090 0.000 1.181 107 I CA 0.253 61.562 61.300 0.016 0.000 1.430 107 I CB 0.198 38.298 38.000 0.167 0.000 1.367 107 I HN 0.232 nan 8.210 nan 0.000 0.577 108 D N 6.697 127.097 120.400 -0.000 0.000 2.368 108 D HA -0.044 4.595 4.640 -0.002 0.000 0.268 108 D C 1.276 177.534 176.300 -0.069 0.000 1.298 108 D CA -0.064 53.920 54.000 -0.027 0.000 0.938 108 D CB 0.670 41.503 40.800 0.055 0.000 1.101 108 D HN 0.236 nan 8.370 nan 0.000 0.509 109 R N 2.198 122.534 120.500 -0.273 0.000 2.193 109 R HA -0.109 4.230 4.340 -0.002 0.000 0.229 109 R C 1.905 178.203 176.300 -0.004 0.000 1.110 109 R CA 0.883 56.712 56.100 -0.452 0.000 0.988 109 R CB -0.897 29.073 30.300 -0.550 0.000 0.871 109 R HN 0.533 nan 8.270 nan 0.000 0.458 110 S N 0.049 115.794 115.700 0.074 0.000 2.555 110 S HA -0.077 4.392 4.470 -0.002 0.000 0.230 110 S C 1.540 176.359 174.600 0.365 0.000 0.978 110 S CA 1.189 59.511 58.200 0.204 0.000 0.934 110 S CB -0.317 62.977 63.200 0.157 0.000 0.766 110 S HN 0.400 nan 8.310 nan 0.000 0.533 111 T N -2.860 111.866 114.554 0.287 0.000 3.163 111 T HA 0.414 4.763 4.350 -0.002 0.000 0.252 111 T C 1.659 176.525 174.700 0.277 0.000 1.056 111 T CA 0.252 62.441 62.100 0.149 0.000 0.947 111 T CB 0.066 69.038 68.868 0.173 0.000 1.016 111 T HN 0.328 nan 8.240 nan 0.000 0.554 112 G N 2.095 111.165 108.800 0.450 0.000 2.462 112 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.220 112 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.220 112 G C 1.076 176.202 174.900 0.377 0.000 1.121 112 G CA 0.868 46.192 45.100 0.374 0.000 0.758 112 G HN 0.752 nan 8.290 nan 0.000 0.559 113 F N 0.673 120.831 119.950 0.348 0.000 2.546 113 F HA 0.264 4.790 4.527 -0.002 0.000 0.298 113 F C 2.029 178.044 175.800 0.359 0.000 1.120 113 F CA 0.659 58.856 58.000 0.328 0.000 1.456 113 F CB -0.074 39.057 39.000 0.217 0.000 1.088 113 F HN 0.018 nan 8.300 nan 0.000 0.572 114 K N 0.981 121.112 120.400 -0.448 0.000 2.432 114 K HA 0.164 4.483 4.320 -0.002 0.000 0.196 114 K C 1.058 177.283 176.600 -0.624 0.000 1.038 114 K CA 0.535 56.442 56.287 -0.632 0.000 0.986 114 K CB -0.080 31.973 32.500 -0.746 0.000 0.782 114 K HN 0.415 nan 8.250 nan 0.000 0.485 115 G N 0.028 108.780 108.800 -0.080 0.000 2.416 115 G HA2 0.208 4.167 3.960 -0.002 0.000 0.329 115 G HA3 0.208 4.167 3.960 -0.002 0.000 0.329 115 G C 0.775 175.887 174.900 0.353 0.000 1.173 115 G CA -0.820 44.234 45.100 -0.077 0.000 0.929 115 G HN 0.270 nan 8.290 nan 0.000 0.475 116 C N -1.032 118.414 119.300 0.244 0.000 2.448 116 C HA 0.172 4.631 4.460 -0.002 0.000 0.280 116 C C 1.294 176.455 174.990 0.284 0.000 1.398 116 C CA -0.043 59.124 59.018 0.248 0.000 1.774 116 C CB -1.410 26.155 27.740 -0.292 0.000 1.888 116 C HN 0.464 nan 8.230 nan 0.000 0.519 117 C N 1.608 121.002 119.300 0.158 0.000 3.151 117 C HA 0.497 4.956 4.460 -0.002 0.000 0.249 117 C C -0.574 174.465 174.990 0.083 0.000 2.249 117 C CA -0.342 58.736 59.018 0.100 0.000 1.517 117 C CB -2.171 25.560 27.740 -0.015 0.000 2.989 117 C HN 0.789 nan 8.230 nan 0.000 0.476 118 D N 0.087 120.535 120.400 0.081 0.000 10.650 118 D HA -0.157 4.482 4.640 -0.002 0.000 0.339 118 D C 0.033 176.231 176.300 -0.169 0.000 3.145 118 D CA 0.954 54.915 54.000 -0.064 0.000 2.685 118 D CB 0.119 40.880 40.800 -0.065 0.000 1.243 118 D HN 0.629 nan 8.370 nan 0.000 0.948 119 V N 0.336 119.906 119.914 -0.575 0.000 2.052 119 V HA 0.486 4.605 4.120 -0.002 0.000 0.281 119 V C 0.970 176.694 176.094 -0.616 0.000 1.668 119 V CA 0.125 61.751 62.300 -1.124 0.000 1.621 119 V CB -0.565 29.995 31.823 -2.105 0.000 1.488 119 V HN 0.619 nan 8.190 nan 0.000 0.513 120 V N -0.203 119.572 119.914 -0.232 0.000 3.109 120 V HA 0.682 4.801 4.120 -0.002 0.000 0.317 120 V C -0.070 176.004 176.094 -0.033 0.000 1.074 120 V CA -0.774 61.441 62.300 -0.141 0.000 1.033 120 V CB 1.886 33.598 31.823 -0.184 0.000 1.111 120 V HN 0.668 nan 8.190 nan 0.000 0.458 121 N N 0.731 119.398 118.700 -0.055 0.000 2.455 121 N HA 0.369 5.108 4.740 -0.002 0.000 0.285 121 N C -0.165 175.331 175.510 -0.024 0.000 1.080 121 N CA -0.600 52.456 53.050 0.009 0.000 0.932 121 N CB 2.506 41.036 38.487 0.071 0.000 1.610 121 N HN 0.749 nan 8.380 nan 0.000 0.493 122 R N 1.664 122.155 120.500 -0.014 0.000 2.356 122 R HA 0.288 4.627 4.340 -0.002 0.000 0.234 122 R C 0.709 177.065 176.300 0.092 0.000 0.929 122 R CA 0.206 56.305 56.100 -0.001 0.000 1.084 122 R CB 0.172 30.466 30.300 -0.011 0.000 1.105 122 R HN 0.730 nan 8.270 nan 0.000 0.515 123 G N 0.008 108.870 108.800 0.102 0.000 2.355 123 G HA2 -0.047 3.912 3.960 -0.002 0.000 0.619 123 G HA3 -0.047 3.912 3.960 -0.002 0.000 0.619 123 G C -0.906 174.072 174.900 0.131 0.000 1.337 123 G CA -0.546 44.635 45.100 0.136 0.000 0.993 123 G HN 0.090 nan 8.290 nan 0.000 0.599 124 V N -2.067 117.934 119.914 0.144 0.000 2.994 124 V HA 1.024 5.143 4.120 -0.002 0.000 0.318 124 V C 0.605 176.780 176.094 0.135 0.000 1.085 124 V CA -0.069 62.308 62.300 0.127 0.000 0.998 124 V CB 1.409 33.299 31.823 0.111 0.000 1.063 124 V HN 2.649 nan 8.190 nan 0.000 0.447 125 A N 2.526 125.432 122.820 0.142 0.000 2.355 125 A HA 0.894 5.213 4.320 -0.002 0.000 0.324 125 A C -0.763 176.961 177.584 0.235 0.000 1.117 125 A CA -0.859 51.276 52.037 0.162 0.000 0.785 125 A CB 1.230 20.278 19.000 0.081 0.000 1.254 125 A HN 0.962 nan 8.150 nan 0.000 0.453 126 L N 1.854 123.210 121.223 0.222 0.000 2.334 126 L HA 0.658 4.997 4.340 -0.002 0.000 0.276 126 L C -0.835 176.273 176.870 0.395 0.000 1.014 126 L CA -0.496 54.468 54.840 0.207 0.000 0.815 126 L CB 1.718 43.826 42.059 0.082 0.000 1.268 126 L HN 0.834 nan 8.230 nan 0.000 0.428 127 W N 4.081 125.483 121.300 0.171 0.000 4.000 127 W HA 0.163 4.822 4.660 -0.002 0.000 0.302 127 W C -0.904 175.697 176.519 0.138 0.000 1.206 127 W CA -0.811 56.629 57.345 0.158 0.000 1.286 127 W CB 1.298 30.848 29.460 0.150 0.000 1.234 127 W HN 0.580 nan 8.180 nan 0.000 0.477 128 K N 3.889 124.102 120.400 -0.312 0.000 3.834 128 K HA -0.204 4.115 4.320 -0.002 0.000 0.276 128 K C 0.936 177.519 176.600 -0.029 0.000 0.850 128 K CA 1.588 57.739 56.287 -0.227 0.000 0.704 128 K CB -1.381 30.954 32.500 -0.275 0.000 1.644 128 K HN 1.120 nan 8.250 nan 0.000 0.440 129 G N -0.312 108.455 108.800 -0.055 0.000 2.176 129 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.253 129 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.253 129 G C -0.088 174.766 174.900 -0.075 0.000 0.979 129 G CA 0.780 45.850 45.100 -0.049 0.000 0.641 129 G HN 0.410 nan 8.290 nan 0.000 0.530 130 K N -0.434 119.923 120.400 -0.071 0.000 2.328 130 K HA 0.720 5.039 4.320 -0.002 0.000 0.246 130 K C -0.648 175.725 176.600 -0.378 0.000 0.955 130 K CA -0.920 55.187 56.287 -0.301 0.000 0.817 130 K CB 3.082 35.295 32.500 -0.478 0.000 1.208 130 K HN 0.036 nan 8.250 nan 0.000 0.432 131 V N 2.732 122.317 119.914 -0.549 0.000 2.417 131 V HA 0.349 4.468 4.120 -0.002 0.000 0.291 131 V C -1.324 174.431 176.094 -0.566 0.000 1.024 131 V CA -0.811 61.242 62.300 -0.411 0.000 0.861 131 V CB 0.640 32.268 31.823 -0.324 0.000 0.985 131 V HN 0.572 nan 8.190 nan 0.000 0.436 132 Y N 3.266 123.462 120.300 -0.173 0.000 2.352 132 Y HA 0.716 5.265 4.550 -0.001 0.000 0.339 132 Y C 0.017 175.841 175.900 -0.127 0.000 0.992 132 Y CA -0.829 57.142 58.100 -0.215 0.000 1.100 132 Y CB 2.073 40.413 38.460 -0.200 0.000 1.192 132 Y HN 0.420 nan 8.280 nan 0.000 0.458 133 V N 2.346 122.253 119.914 -0.012 0.000 2.709 133 V HA 0.837 4.956 4.120 -0.002 0.000 0.308 133 V C -0.316 175.789 176.094 0.019 0.000 1.062 133 V CA -0.615 61.706 62.300 0.035 0.000 0.901 133 V CB 1.956 33.823 31.823 0.073 0.000 1.003 133 V HN 0.888 nan 8.190 nan 0.000 0.425 134 G N 4.959 113.786 108.800 0.045 0.000 2.356 134 G HA2 0.654 4.613 3.960 -0.002 0.000 0.312 134 G HA3 0.654 4.613 3.960 -0.002 0.000 0.312 134 G C -0.038 174.904 174.900 0.070 0.000 1.096 134 G CA 0.215 45.333 45.100 0.031 0.000 0.950 134 G HN 1.332 nan 8.290 nan 0.000 0.428 135 A N 3.213 126.065 122.820 0.055 0.000 2.302 135 A HA 0.432 4.751 4.320 -0.002 0.000 0.285 135 A C 1.050 178.738 177.584 0.173 0.000 1.105 135 A CA -0.816 51.297 52.037 0.126 0.000 0.816 135 A CB 0.440 19.504 19.000 0.107 0.000 1.067 135 A HN 0.905 nan 8.150 nan 0.000 0.489 136 W N 1.548 122.873 121.300 0.042 0.000 2.305 136 W HA -0.246 4.413 4.660 -0.002 0.000 0.308 136 W C 0.658 177.227 176.519 0.083 0.000 1.226 136 W CA 2.408 59.789 57.345 0.061 0.000 1.253 136 W CB 0.059 29.577 29.460 0.097 0.000 1.146 136 W HN 0.922 nan 8.180 nan 0.000 0.507 137 D N -1.383 119.153 120.400 0.227 0.000 2.324 137 D HA 0.169 4.808 4.640 -0.002 0.000 0.235 137 D C 1.563 177.703 176.300 -0.266 0.000 1.095 137 D CA 1.031 55.082 54.000 0.084 0.000 0.871 137 D CB -0.540 40.335 40.800 0.125 0.000 0.906 137 D HN 0.260 nan 8.370 nan 0.000 0.522 138 G N 0.058 108.477 108.800 -0.634 0.000 2.194 138 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.236 138 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.236 138 G C 0.251 174.733 174.900 -0.696 0.000 0.987 138 G CA -0.318 43.837 45.100 -1.575 0.000 0.635 138 G HN 0.432 nan 8.290 nan 0.000 0.520 139 R N -0.089 120.216 120.500 -0.325 0.000 2.389 139 R HA 0.525 4.864 4.340 -0.002 0.000 0.295 139 R C -0.175 176.055 176.300 -0.117 0.000 1.075 139 R CA -0.556 55.452 56.100 -0.154 0.000 1.005 139 R CB 1.123 31.377 30.300 -0.076 0.000 0.987 139 R HN 0.225 nan 8.270 nan 0.000 0.452 140 L N 5.389 126.551 121.223 -0.103 0.000 2.264 140 L HA 0.425 4.764 4.340 -0.002 0.000 0.289 140 L C -0.927 175.865 176.870 -0.130 0.000 1.044 140 L CA 0.059 54.838 54.840 -0.102 0.000 0.807 140 L CB 0.789 42.767 42.059 -0.134 0.000 1.192 140 L HN 0.507 nan 8.230 nan 0.000 0.425 141 I N 5.141 125.578 120.570 -0.221 0.000 2.433 141 I HA 0.642 4.811 4.170 -0.002 0.000 0.292 141 I C -0.150 175.556 176.117 -0.685 0.000 1.001 141 I CA -0.747 60.321 61.300 -0.386 0.000 1.119 141 I CB 1.902 39.735 38.000 -0.278 0.000 1.289 141 I HN 0.748 nan 8.210 nan 0.000 0.438 142 A N 7.728 129.883 122.820 -1.109 0.000 2.288 142 A HA 0.860 5.179 4.320 -0.002 0.000 0.320 142 A C -0.736 176.276 177.584 -0.953 0.000 1.217 142 A CA -0.419 50.805 52.037 -1.356 0.000 0.840 142 A CB 0.644 18.457 19.000 -1.978 0.000 1.179 142 A HN 0.686 nan 8.150 nan 0.000 0.504 143 L N 1.305 122.028 121.223 -0.832 0.000 2.333 143 L HA 0.413 4.752 4.340 -0.002 0.000 0.269 143 L C -0.231 176.328 176.870 -0.519 0.000 1.010 143 L CA -0.950 53.492 54.840 -0.665 0.000 0.818 143 L CB 1.965 43.636 42.059 -0.647 0.000 1.306 143 L HN 0.812 nan 8.230 nan 0.000 0.430 144 D N 0.763 120.889 120.400 -0.458 0.000 2.390 144 D HA 0.254 4.893 4.640 -0.002 0.000 0.249 144 D C 0.895 177.067 176.300 -0.213 0.000 1.144 144 D CA 0.238 54.054 54.000 -0.307 0.000 0.880 144 D CB 1.773 42.416 40.800 -0.262 0.000 1.182 144 D HN 0.613 nan 8.370 nan 0.000 0.451 145 A N 3.740 126.526 122.820 -0.056 0.000 1.978 145 A HA -0.076 4.243 4.320 -0.002 0.000 0.220 145 A C 2.038 179.902 177.584 0.466 0.000 1.170 145 A CA 1.815 53.967 52.037 0.192 0.000 0.636 145 A CB -0.674 18.366 19.000 0.066 0.000 0.810 145 A HN 0.675 nan 8.150 nan 0.000 0.448 146 A N -1.084 121.862 122.820 0.209 0.000 1.984 146 A HA 0.107 4.426 4.320 -0.002 0.000 0.214 146 A C 2.224 179.913 177.584 0.176 0.000 1.173 146 A CA 2.022 54.199 52.037 0.234 0.000 0.673 146 A CB -0.527 18.524 19.000 0.084 0.000 0.830 146 A HN 0.733 nan 8.150 nan 0.000 0.453 147 T N -6.117 108.322 114.554 -0.192 0.000 2.969 147 T HA 0.422 4.771 4.350 -0.002 0.000 0.250 147 T C 1.436 175.436 174.700 -1.166 0.000 1.021 147 T CA 1.146 62.981 62.100 -0.442 0.000 1.003 147 T CB 0.377 69.079 68.868 -0.277 0.000 1.040 147 T HN 1.630 nan 8.240 nan 0.000 0.492 148 G N 1.827 109.543 108.800 -1.806 0.000 2.179 148 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.260 148 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.260 148 G C -0.019 174.308 174.900 -0.956 0.000 0.977 148 G CA 0.046 43.769 45.100 -2.295 0.000 0.641 148 G HN 0.593 nan 8.290 nan 0.000 0.533 149 K N 1.060 121.076 120.400 -0.639 0.000 2.185 149 K HA 0.399 4.718 4.320 -0.002 0.000 0.271 149 K C 0.603 176.956 176.600 -0.413 0.000 1.013 149 K CA -0.637 55.423 56.287 -0.378 0.000 0.943 149 K CB 1.112 33.461 32.500 -0.251 0.000 0.998 149 K HN 0.585 nan 8.250 nan 0.000 0.468 150 E N 1.444 121.445 120.200 -0.332 0.000 2.384 150 E HA 0.007 4.356 4.350 -0.002 0.000 0.266 150 E C 0.071 176.530 176.600 -0.235 0.000 1.012 150 E CA -0.165 56.025 56.400 -0.351 0.000 0.901 150 E CB 0.700 30.268 29.700 -0.220 0.000 0.967 150 E HN 0.226 nan 8.360 nan 0.000 0.435 151 V N 5.547 125.295 119.914 -0.276 0.000 2.690 151 V HA 0.157 4.276 4.120 -0.002 0.000 0.240 151 V C 0.286 176.410 176.094 0.051 0.000 1.078 151 V CA 0.710 62.930 62.300 -0.135 0.000 1.102 151 V CB -0.143 31.570 31.823 -0.183 0.000 0.800 151 V HN 0.768 nan 8.190 nan 0.000 0.479 152 W N 0.382 121.615 121.300 -0.112 0.000 3.066 152 W HA 0.590 5.249 4.660 -0.002 0.000 0.330 152 W C -1.640 174.846 176.519 -0.056 0.000 1.253 152 W CA -0.640 56.650 57.345 -0.091 0.000 1.187 152 W CB 0.853 30.249 29.460 -0.106 0.000 1.434 152 W HN 0.304 nan 8.180 nan 0.000 0.572 153 H N -0.358 118.954 119.070 0.403 0.000 3.016 153 H HA 0.525 5.080 4.556 -0.002 0.000 0.362 153 H C -1.587 173.891 175.328 0.250 0.000 1.233 153 H CA -0.986 55.208 56.048 0.243 0.000 1.124 153 H CB 2.525 32.301 29.762 0.023 0.000 1.850 153 H HN 0.413 nan 8.280 nan 0.000 0.549 154 Q N 1.675 121.577 119.800 0.171 0.000 2.323 154 Q HA 0.257 4.596 4.340 -0.002 0.000 0.271 154 Q C -0.871 175.127 176.000 -0.002 0.000 1.048 154 Q CA -0.916 54.846 55.803 -0.070 0.000 0.792 154 Q CB 2.422 30.890 28.738 -0.450 0.000 1.280 154 Q HN 0.598 nan 8.270 nan 0.000 0.441 155 N N 1.954 120.681 118.700 0.044 0.000 2.555 155 N HA 0.019 4.758 4.740 -0.002 0.000 0.244 155 N C 0.981 176.509 175.510 0.030 0.000 1.114 155 N CA 0.145 53.209 53.050 0.023 0.000 0.963 155 N CB 0.828 39.361 38.487 0.076 0.000 1.276 155 N HN 0.617 nan 8.380 nan 0.000 0.510 156 T N -2.203 112.323 114.554 -0.045 0.000 3.113 156 T HA 0.049 4.398 4.350 -0.002 0.000 0.263 156 T C 1.166 176.106 174.700 0.401 0.000 1.143 156 T CA 0.623 62.825 62.100 0.170 0.000 1.090 156 T CB -0.444 68.522 68.868 0.163 0.000 0.922 156 T HN 0.423 nan 8.240 nan 0.000 0.521 157 F N 0.969 121.029 119.950 0.183 0.000 2.749 157 F HA 0.322 4.848 4.527 -0.002 0.000 0.300 157 F C 1.226 177.103 175.800 0.130 0.000 1.103 157 F CA -0.936 57.177 58.000 0.189 0.000 1.342 157 F CB 0.168 39.231 39.000 0.105 0.000 1.098 157 F HN 0.255 nan 8.300 nan 0.000 0.586 158 E N 1.076 121.433 120.200 0.262 0.000 2.558 158 E HA 0.096 4.445 4.350 -0.002 0.000 0.255 158 E C 1.177 177.851 176.600 0.124 0.000 0.968 158 E CA 0.865 57.362 56.400 0.163 0.000 0.939 158 E CB 0.336 30.105 29.700 0.115 0.000 0.921 158 E HN 0.494 nan 8.360 nan 0.000 0.477 159 G N 3.567 112.426 108.800 0.099 0.000 2.179 159 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.260 159 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.260 159 G C -0.047 174.889 174.900 0.060 0.000 0.977 159 G CA 0.233 45.370 45.100 0.062 0.000 0.641 159 G HN 0.532 nan 8.290 nan 0.000 0.533 160 Q N 0.233 120.091 119.800 0.098 0.000 2.309 160 Q HA 0.588 4.928 4.340 -0.002 0.000 0.264 160 Q C 0.080 176.136 176.000 0.093 0.000 1.008 160 Q CA -0.388 55.475 55.803 0.102 0.000 0.853 160 Q CB 1.755 30.589 28.738 0.161 0.000 1.314 160 Q HN 0.490 nan 8.270 nan 0.000 0.448 161 K N 0.130 120.580 120.400 0.083 0.000 2.087 161 K HA 0.751 5.070 4.320 -0.002 0.000 0.255 161 K C 0.204 176.837 176.600 0.055 0.000 0.988 161 K CA -0.202 56.129 56.287 0.072 0.000 0.915 161 K CB 1.114 33.670 32.500 0.093 0.000 1.043 161 K HN 0.835 nan 8.250 nan 0.000 0.457 162 G N 0.127 108.959 108.800 0.054 0.000 2.655 162 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.680 162 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.680 162 G C -0.641 174.196 174.900 -0.105 0.000 1.302 162 G CA -0.629 44.501 45.100 0.049 0.000 0.872 162 G HN 0.420 nan 8.290 nan 0.000 0.540 163 S N 0.198 115.813 115.700 -0.142 0.000 4.139 163 S HA 0.487 4.956 4.470 -0.002 0.000 0.215 163 S C 0.832 175.073 174.600 -0.598 0.000 1.390 163 S CA -0.346 57.611 58.200 -0.405 0.000 0.885 163 S CB -1.228 61.623 63.200 -0.581 0.000 1.560 163 S HN 0.589 nan 8.310 nan 0.000 0.449 164 L N 3.637 124.473 121.223 -0.646 0.000 2.395 164 L HA 0.523 4.862 4.340 -0.002 0.000 0.269 164 L C 0.780 177.146 176.870 -0.841 0.000 1.133 164 L CA -0.365 53.929 54.840 -0.909 0.000 0.812 164 L CB 1.344 42.401 42.059 -1.670 0.000 1.125 164 L HN 0.514 nan 8.230 nan 0.000 0.452 165 T N -0.416 113.789 114.554 -0.583 0.000 2.841 165 T HA 0.702 5.051 4.350 -0.002 0.000 0.296 165 T C -0.659 174.006 174.700 -0.059 0.000 1.166 165 T CA -0.774 61.059 62.100 -0.445 0.000 1.007 165 T CB 1.699 69.860 68.868 -1.178 0.000 1.253 165 T HN 0.301 nan 8.240 nan 0.000 0.511 166 I N 1.468 122.030 120.570 -0.012 0.000 2.498 166 I HA 0.446 4.615 4.170 -0.002 0.000 0.290 166 I C 0.783 176.964 176.117 0.106 0.000 1.032 166 I CA -0.927 60.417 61.300 0.074 0.000 1.073 166 I CB 2.618 40.669 38.000 0.084 0.000 1.251 166 I HN 1.091 nan 8.210 nan 0.000 0.426 167 T N -0.015 114.601 114.554 0.104 0.000 2.986 167 T HA 0.238 4.587 4.350 -0.002 0.000 0.264 167 T C 0.709 175.470 174.700 0.101 0.000 0.964 167 T CA -0.118 62.056 62.100 0.122 0.000 0.895 167 T CB 0.476 69.392 68.868 0.080 0.000 1.163 167 T HN 0.596 nan 8.240 nan 0.000 0.517 168 G N 1.062 109.938 108.800 0.126 0.000 2.528 168 G HA2 0.632 4.591 3.960 -0.002 0.000 0.289 168 G HA3 0.632 4.591 3.960 -0.002 0.000 0.289 168 G C -0.203 174.748 174.900 0.084 0.000 1.192 168 G CA -0.467 44.701 45.100 0.112 0.000 0.921 168 G HN 0.616 nan 8.290 nan 0.000 0.512 169 A N 0.951 123.820 122.820 0.083 0.000 2.354 169 A HA 0.710 5.029 4.320 -0.002 0.000 0.269 169 A C -2.073 175.533 177.584 0.036 0.000 1.109 169 A CA -1.129 50.953 52.037 0.076 0.000 0.800 169 A CB 0.540 19.602 19.000 0.105 0.000 1.045 169 A HN 0.484 nan 8.150 nan 0.000 0.489 170 P HA 0.547 nan 4.420 nan 0.000 0.276 170 P C -0.639 176.581 177.300 -0.132 0.000 1.252 170 P CA -0.425 62.632 63.100 -0.072 0.000 0.802 170 P CB 0.627 32.279 31.700 -0.081 0.000 1.035 171 R N 0.052 120.368 120.500 -0.307 0.000 2.711 171 R HA 0.654 4.993 4.340 -0.002 0.000 0.284 171 R C -1.166 174.694 176.300 -0.733 0.000 0.968 171 R CA -0.908 54.880 56.100 -0.519 0.000 0.924 171 R CB 1.396 31.152 30.300 -0.907 0.000 1.162 171 R HN 0.158 nan 8.270 nan 0.000 0.465 172 V N 3.924 123.462 119.914 -0.627 0.000 2.376 172 V HA 0.509 4.628 4.120 -0.002 0.000 0.287 172 V C -0.958 174.824 176.094 -0.521 0.000 1.015 172 V CA -0.598 61.289 62.300 -0.687 0.000 0.834 172 V CB 0.883 32.333 31.823 -0.622 0.000 1.001 172 V HN 0.574 nan 8.190 nan 0.000 0.428 173 F N 3.219 122.804 119.950 -0.609 0.000 2.477 173 F HA 0.471 4.997 4.527 -0.001 0.000 0.335 173 F C 0.816 176.215 175.800 -0.669 0.000 1.130 173 F CA -1.297 56.217 58.000 -0.811 0.000 0.948 173 F CB 1.915 40.215 39.000 -1.166 0.000 1.154 173 F HN 0.475 nan 8.300 nan 0.000 0.439 174 K N 1.955 122.212 120.400 -0.239 0.000 3.077 174 K HA -0.232 4.087 4.320 -0.002 0.000 0.264 174 K C 0.812 177.310 176.600 -0.170 0.000 1.008 174 K CA 0.650 56.912 56.287 -0.042 0.000 0.740 174 K CB -1.633 30.854 32.500 -0.021 0.000 1.273 174 K HN 1.209 nan 8.250 nan 0.000 0.477 175 G N -0.125 108.292 108.800 -0.639 0.000 2.162 175 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.260 175 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.260 175 G C -0.184 174.398 174.900 -0.530 0.000 0.976 175 G CA 0.815 45.555 45.100 -0.600 0.000 0.655 175 G HN 0.363 nan 8.290 nan 0.000 0.533 176 K N 0.013 120.088 120.400 -0.541 0.000 2.323 176 K HA 0.612 4.931 4.320 -0.002 0.000 0.259 176 K C -0.423 175.842 176.600 -0.558 0.000 0.947 176 K CA -0.783 55.240 56.287 -0.440 0.000 0.819 176 K CB 3.025 35.327 32.500 -0.330 0.000 1.109 176 K HN 0.168 nan 8.250 nan 0.000 0.429 177 V N 5.936 125.566 119.914 -0.474 0.000 2.439 177 V HA 0.473 4.592 4.120 -0.002 0.000 0.282 177 V C -0.740 175.155 176.094 -0.332 0.000 1.039 177 V CA -0.454 61.554 62.300 -0.487 0.000 0.913 177 V CB 0.501 32.005 31.823 -0.532 0.000 0.983 177 V HN 0.593 nan 8.190 nan 0.000 0.460 178 I N 7.327 127.662 120.570 -0.391 0.000 2.509 178 I HA 0.600 4.769 4.170 -0.002 0.000 0.293 178 I C -0.804 175.201 176.117 -0.187 0.000 1.020 178 I CA -0.661 60.441 61.300 -0.330 0.000 1.088 178 I CB 1.930 39.678 38.000 -0.422 0.000 1.267 178 I HN 0.549 nan 8.210 nan 0.000 0.430 179 I N 3.364 123.885 120.570 -0.082 0.000 2.827 179 I HA 0.741 4.910 4.170 -0.002 0.000 0.298 179 I C -0.030 176.086 176.117 -0.003 0.000 1.235 179 I CA 0.024 61.311 61.300 -0.022 0.000 1.021 179 I CB 2.148 40.156 38.000 0.013 0.000 1.259 179 I HN 0.626 nan 8.210 nan 0.000 0.427 180 G N 3.423 112.224 108.800 0.002 0.000 3.019 180 G HA2 0.694 4.653 3.960 -0.002 0.000 0.152 180 G HA3 0.694 4.653 3.960 -0.002 0.000 0.152 180 G C -1.159 173.716 174.900 -0.041 0.000 1.320 180 G CA -0.047 45.030 45.100 -0.039 0.000 1.013 180 G HN 0.914 nan 8.290 nan 0.000 0.593 181 N N -3.105 115.577 118.700 -0.029 0.000 3.355 181 N HA 0.535 5.274 4.740 -0.002 0.000 0.238 181 N C -0.602 174.918 175.510 0.017 0.000 1.466 181 N CA -0.263 52.783 53.050 -0.005 0.000 0.882 181 N CB 0.801 39.234 38.487 -0.089 0.000 1.406 181 N HN 0.864 nan 8.380 nan 0.000 0.500 182 G N -3.052 105.695 108.800 -0.087 0.000 2.537 182 G HA2 0.659 4.618 3.960 -0.002 0.000 0.308 182 G HA3 0.659 4.618 3.960 -0.002 0.000 0.308 182 G C 0.207 174.954 174.900 -0.255 0.000 1.237 182 G CA -0.522 44.477 45.100 -0.169 0.000 0.968 182 G HN 1.589 nan 8.290 nan 0.000 0.481 183 G N -1.776 106.900 108.800 -0.207 0.000 2.834 183 G HA2 0.258 4.217 3.960 -0.002 0.000 0.217 183 G HA3 0.258 4.217 3.960 -0.002 0.000 0.217 183 G C 1.052 175.975 174.900 0.037 0.000 0.974 183 G CA 0.869 45.891 45.100 -0.129 0.000 0.826 183 G HN 1.515 nan 8.290 nan 0.000 0.584 184 A N 0.315 123.147 122.820 0.021 0.000 2.121 184 A HA 0.267 4.586 4.320 -0.002 0.000 0.218 184 A C 1.865 179.510 177.584 0.103 0.000 1.154 184 A CA 2.119 54.213 52.037 0.095 0.000 0.679 184 A CB -0.164 18.914 19.000 0.130 0.000 0.795 184 A HN 0.335 nan 8.150 nan 0.000 0.458 185 E N -1.234 118.943 120.200 -0.040 0.000 2.274 185 E HA -0.085 4.264 4.350 -0.002 0.000 0.194 185 E C 1.062 177.429 176.600 -0.390 0.000 0.996 185 E CA 1.061 57.277 56.400 -0.306 0.000 0.840 185 E CB -0.294 28.746 29.700 -1.100 0.000 0.772 185 E HN 0.825 nan 8.360 nan 0.000 0.491 186 Y N -1.070 119.122 120.300 -0.179 0.000 2.479 186 Y HA 0.372 4.921 4.550 -0.002 0.000 0.283 186 Y C 1.043 177.083 175.900 0.234 0.000 1.109 186 Y CA 0.510 58.617 58.100 0.011 0.000 1.239 186 Y CB 0.764 39.201 38.460 -0.037 0.000 1.108 186 Y HN -0.037 nan 8.280 nan 0.000 0.548 187 G N 0.750 109.745 108.800 0.325 0.000 2.768 187 G HA2 0.231 4.190 3.960 -0.002 0.000 0.666 187 G HA3 0.231 4.190 3.960 -0.002 0.000 0.666 187 G C -1.012 174.010 174.900 0.203 0.000 1.162 187 G CA -0.478 44.791 45.100 0.281 0.000 1.226 187 G HN 0.602 nan 8.290 nan 0.000 0.535 188 V N -0.918 119.069 119.914 0.122 0.000 3.206 188 V HA 0.906 5.025 4.120 -0.002 0.000 0.305 188 V C -0.004 176.162 176.094 0.120 0.000 1.257 188 V CA -1.573 60.788 62.300 0.100 0.000 1.057 188 V CB 2.104 33.953 31.823 0.043 0.000 1.075 188 V HN 0.980 nan 8.190 nan 0.000 0.443 189 R N 1.231 121.831 120.500 0.167 0.000 2.215 189 R HA 0.604 4.944 4.340 -0.002 0.000 0.336 189 R C 0.346 176.851 176.300 0.343 0.000 0.996 189 R CA 0.114 56.345 56.100 0.219 0.000 0.847 189 R CB 0.922 31.335 30.300 0.187 0.000 1.127 189 R HN 1.321 nan 8.270 nan 0.000 0.465 190 G N 3.541 112.494 108.800 0.256 0.000 2.491 190 G HA2 0.219 4.178 3.960 -0.002 0.000 0.242 190 G HA3 0.219 4.178 3.960 -0.002 0.000 0.242 190 G C -1.067 174.006 174.900 0.289 0.000 1.266 190 G CA -0.014 45.209 45.100 0.205 0.000 0.844 190 G HN 0.712 nan 8.290 nan 0.000 0.571 191 Y N -0.651 119.670 120.300 0.036 0.000 2.641 191 Y HA 0.651 5.199 4.550 -0.002 0.000 0.333 191 Y C -0.744 175.142 175.900 -0.023 0.000 1.174 191 Y CA -1.916 56.099 58.100 -0.143 0.000 1.057 191 Y CB 0.959 39.050 38.460 -0.615 0.000 1.322 191 Y HN 0.721 nan 8.280 nan 0.000 0.457 192 I N -0.102 120.567 120.570 0.165 0.000 2.740 192 I HA 0.955 5.124 4.170 -0.002 0.000 0.303 192 I C -1.057 175.128 176.117 0.113 0.000 1.044 192 I CA -0.969 60.404 61.300 0.122 0.000 1.064 192 I CB 2.612 40.717 38.000 0.175 0.000 1.249 192 I HN 0.706 nan 8.210 nan 0.000 0.433 193 T N 3.013 117.540 114.554 -0.044 0.000 2.893 193 T HA 0.767 5.116 4.350 -0.002 0.000 0.293 193 T C -0.543 173.773 174.700 -0.641 0.000 1.027 193 T CA -0.638 61.276 62.100 -0.310 0.000 0.988 193 T CB 1.833 70.591 68.868 -0.183 0.000 1.043 193 T HN 0.881 nan 8.240 nan 0.000 0.461 194 A N 2.380 124.505 122.820 -1.159 0.000 2.330 194 A HA 0.842 5.161 4.320 -0.002 0.000 0.327 194 A C -1.601 175.393 177.584 -0.983 0.000 1.155 194 A CA -0.624 50.702 52.037 -1.185 0.000 0.803 194 A CB 0.576 18.337 19.000 -2.066 0.000 1.208 194 A HN 0.786 nan 8.150 nan 0.000 0.477 195 Y N 0.015 120.049 120.300 -0.444 0.000 2.536 195 Y HA 0.396 4.945 4.550 -0.002 0.000 0.347 195 Y C 0.080 175.783 175.900 -0.329 0.000 1.000 195 Y CA -0.812 57.081 58.100 -0.346 0.000 1.051 195 Y CB 1.634 39.929 38.460 -0.274 0.000 1.259 195 Y HN 0.839 nan 8.280 nan 0.000 0.468 196 D N 0.913 121.212 120.400 -0.168 0.000 2.417 196 D HA 0.277 4.916 4.640 -0.002 0.000 0.250 196 D C 0.835 177.083 176.300 -0.086 0.000 1.166 196 D CA 0.537 54.441 54.000 -0.159 0.000 0.881 196 D CB 1.257 41.964 40.800 -0.155 0.000 1.164 196 D HN 0.702 nan 8.370 nan 0.000 0.467 197 A N 3.786 126.575 122.820 -0.052 0.000 1.972 197 A HA -0.192 4.127 4.320 -0.002 0.000 0.219 197 A C 1.926 179.818 177.584 0.513 0.000 1.169 197 A CA 1.471 53.590 52.037 0.138 0.000 0.635 197 A CB -0.474 18.368 19.000 -0.263 0.000 0.810 197 A HN 0.826 nan 8.150 nan 0.000 0.446 198 E N -0.672 119.704 120.200 0.294 0.000 2.051 198 E HA -0.131 4.218 4.350 -0.002 0.000 0.189 198 E C 1.973 178.694 176.600 0.200 0.000 0.979 198 E CA 1.659 58.244 56.400 0.309 0.000 0.803 198 E CB 0.016 29.825 29.700 0.182 0.000 0.761 198 E HN 0.694 nan 8.360 nan 0.000 0.451 199 T N -4.349 110.124 114.554 -0.134 0.000 2.990 199 T HA 0.325 4.674 4.350 -0.002 0.000 0.249 199 T C 1.433 175.462 174.700 -1.118 0.000 1.039 199 T CA 0.669 62.519 62.100 -0.416 0.000 1.036 199 T CB 0.934 69.651 68.868 -0.251 0.000 0.994 199 T HN 0.329 nan 8.240 nan 0.000 0.489 200 G N 1.565 109.472 108.800 -1.488 0.000 2.195 200 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.246 200 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.246 200 G C -0.116 174.339 174.900 -0.743 0.000 0.984 200 G CA 0.190 44.072 45.100 -2.029 0.000 0.633 200 G HN 0.907 nan 8.290 nan 0.000 0.525 201 E N 1.020 120.949 120.200 -0.450 0.000 2.465 201 E HA 0.230 4.579 4.350 -0.002 0.000 0.260 201 E C 0.884 177.408 176.600 -0.126 0.000 0.980 201 E CA -0.495 55.775 56.400 -0.218 0.000 0.927 201 E CB 0.274 29.869 29.700 -0.176 0.000 0.934 201 E HN 0.461 nan 8.360 nan 0.000 0.459 202 R N 3.790 124.248 120.500 -0.071 0.000 2.522 202 R HA -0.026 4.313 4.340 -0.002 0.000 0.284 202 R C 0.391 176.536 176.300 -0.258 0.000 1.032 202 R CA 0.070 56.009 56.100 -0.269 0.000 1.049 202 R CB 0.533 30.702 30.300 -0.219 0.000 0.956 202 R HN 0.506 nan 8.270 nan 0.000 0.422 203 K N 4.649 124.831 120.400 -0.364 0.000 2.344 203 K HA 0.142 4.461 4.320 -0.002 0.000 0.200 203 K C -0.040 176.553 176.600 -0.012 0.000 1.132 203 K CA 0.832 57.009 56.287 -0.183 0.000 0.935 203 K CB 0.461 32.844 32.500 -0.194 0.000 1.089 203 K HN 0.715 nan 8.250 nan 0.000 0.496 204 W N 0.250 121.417 121.300 -0.221 0.000 2.989 204 W HA 0.564 5.223 4.660 -0.001 0.000 0.344 204 W C -1.395 175.023 176.519 -0.168 0.000 1.233 204 W CA -0.913 56.344 57.345 -0.148 0.000 1.187 204 W CB 0.945 30.352 29.460 -0.089 0.000 1.443 204 W HN -0.180 nan 8.180 nan 0.000 0.573 205 R N 1.010 121.757 120.500 0.411 0.000 2.651 205 R HA 0.510 4.849 4.340 -0.002 0.000 0.278 205 R C -2.466 174.052 176.300 0.363 0.000 1.010 205 R CA -0.385 55.862 56.100 0.244 0.000 0.896 205 R CB 2.702 32.940 30.300 -0.103 0.000 1.211 205 R HN 0.585 nan 8.270 nan 0.000 0.456 206 W N 5.898 127.290 121.300 0.154 0.000 2.715 206 W HA 0.465 5.124 4.660 -0.001 0.000 0.331 206 W C -1.821 174.722 176.519 0.039 0.000 1.031 206 W CA -0.791 56.622 57.345 0.114 0.000 1.237 206 W CB 1.078 30.614 29.460 0.126 0.000 1.378 206 W HN 0.437 nan 8.180 nan 0.000 0.454 207 F N 3.843 123.469 119.950 -0.541 0.000 2.385 207 F HA 0.207 4.733 4.527 -0.002 0.000 0.336 207 F C 1.715 176.816 175.800 -1.164 0.000 1.100 207 F CA 0.009 57.714 58.000 -0.492 0.000 1.116 207 F CB 1.719 40.552 39.000 -0.279 0.000 1.166 207 F HN 0.445 nan 8.300 nan 0.000 0.511 208 S N 0.276 115.704 115.700 -0.454 0.000 2.524 208 S HA 0.243 4.712 4.470 -0.002 0.000 0.216 208 S C 0.073 174.668 174.600 -0.007 0.000 0.987 208 S CA 0.237 58.181 58.200 -0.428 0.000 0.909 208 S CB -0.552 62.696 63.200 0.080 0.000 0.781 208 S HN 0.447 nan 8.310 nan 0.000 0.521 209 V N -2.102 117.803 119.914 -0.015 0.000 3.007 209 V HA 0.729 4.848 4.120 -0.002 0.000 0.311 209 V C -3.191 172.816 176.094 -0.145 0.000 1.120 209 V CA -2.847 59.427 62.300 -0.043 0.000 0.980 209 V CB 1.946 33.749 31.823 -0.034 0.000 1.033 209 V HN -0.047 nan 8.190 nan 0.000 0.429 210 P HA 0.338 nan 4.420 nan 0.000 0.272 210 P C 0.244 177.587 177.300 0.073 0.000 1.230 210 P CA 0.492 63.552 63.100 -0.066 0.000 0.788 210 P CB 1.204 32.898 31.700 -0.010 0.000 0.949 211 G N 0.575 109.367 108.800 -0.013 0.000 2.531 211 G HA2 0.122 4.081 3.960 -0.002 0.000 0.281 211 G HA3 0.122 4.081 3.960 -0.002 0.000 0.281 211 G C -0.471 174.272 174.900 -0.262 0.000 1.382 211 G CA -0.316 44.698 45.100 -0.144 0.000 1.045 211 G HN 0.511 nan 8.290 nan 0.000 0.533 212 D N 0.518 120.536 120.400 -0.637 0.000 2.520 212 D HA 0.026 4.665 4.640 -0.002 0.000 0.243 212 D C -0.956 174.778 176.300 -0.943 0.000 1.160 212 D CA -1.383 51.793 54.000 -1.372 0.000 0.877 212 D CB 1.462 41.410 40.800 -1.421 0.000 1.150 212 D HN 0.014 nan 8.370 nan 0.000 0.494 213 P HA -0.081 nan 4.420 nan 0.000 0.242 213 P C 0.743 177.703 177.300 -0.567 0.000 1.197 213 P CA 0.450 63.268 63.100 -0.471 0.000 0.765 213 P CB 0.094 31.802 31.700 0.014 0.000 0.936 214 S N -2.009 113.309 115.700 -0.637 0.000 2.575 214 S HA 0.138 4.607 4.470 -0.002 0.000 0.215 214 S C 0.810 175.131 174.600 -0.465 0.000 0.966 214 S CA -0.211 57.710 58.200 -0.465 0.000 0.911 214 S CB -0.320 62.637 63.200 -0.405 0.000 0.780 214 S HN 0.094 nan 8.310 nan 0.000 0.514 215 K N 1.759 121.808 120.400 -0.584 0.000 2.123 215 K HA 0.507 4.826 4.320 -0.002 0.000 0.248 215 K C -2.996 173.251 176.600 -0.588 0.000 0.969 215 K CA -2.473 53.519 56.287 -0.492 0.000 0.882 215 K CB 0.480 32.707 32.500 -0.456 0.000 1.080 215 K HN -0.006 nan 8.250 nan 0.000 0.441 216 P HA -0.051 nan 4.420 nan 0.000 0.264 216 P C -0.877 176.195 177.300 -0.381 0.000 1.183 216 P CA 0.366 63.262 63.100 -0.339 0.000 0.763 216 P CB 0.213 31.808 31.700 -0.175 0.000 0.807 217 F N 1.339 121.231 119.950 -0.096 0.000 2.429 217 F HA 0.063 4.589 4.527 -0.001 0.000 0.348 217 F C 1.831 177.596 175.800 -0.059 0.000 1.109 217 F CA 0.121 58.069 58.000 -0.088 0.000 1.232 217 F CB 0.618 39.586 39.000 -0.054 0.000 1.157 217 F HN 0.381 nan 8.300 nan 0.000 0.564 218 E N 0.603 120.883 120.200 0.134 0.000 2.150 218 E HA -0.091 4.258 4.350 -0.002 0.000 0.193 218 E C -0.438 176.244 176.600 0.137 0.000 0.985 218 E CA 1.358 57.823 56.400 0.107 0.000 0.814 218 E CB -0.126 29.655 29.700 0.135 0.000 0.752 218 E HN 0.695 nan 8.360 nan 0.000 0.466 219 D N -2.900 117.593 120.400 0.155 0.000 2.713 219 D HA 0.119 4.758 4.640 -0.002 0.000 0.306 219 D C 0.300 176.653 176.300 0.088 0.000 1.299 219 D CA -0.677 53.400 54.000 0.128 0.000 0.823 219 D CB 0.258 41.154 40.800 0.160 0.000 1.353 219 D HN -0.356 nan 8.370 nan 0.000 0.447 220 E N -0.093 120.142 120.200 0.059 0.000 2.153 220 E HA -0.141 4.208 4.350 -0.002 0.000 0.194 220 E C 1.839 178.414 176.600 -0.042 0.000 0.988 220 E CA 1.616 58.016 56.400 0.001 0.000 0.811 220 E CB -0.291 29.422 29.700 0.021 0.000 0.746 220 E HN 0.539 nan 8.360 nan 0.000 0.466 221 S N 0.095 115.794 115.700 -0.002 0.000 2.399 221 S HA -0.138 4.331 4.470 -0.002 0.000 0.231 221 S C 1.928 176.564 174.600 0.060 0.000 1.022 221 S CA 0.916 59.078 58.200 -0.063 0.000 0.983 221 S CB -0.110 63.005 63.200 -0.141 0.000 0.803 221 S HN 0.084 nan 8.310 nan 0.000 0.480 222 M N 1.570 121.184 119.600 0.022 0.000 2.156 222 M HA 0.127 4.606 4.480 -0.002 0.000 0.264 222 M C 2.346 178.380 176.300 -0.444 0.000 1.067 222 M CA 1.493 56.759 55.300 -0.057 0.000 1.131 222 M CB -1.135 31.515 32.600 0.084 0.000 1.368 222 M HN 0.476 nan 8.290 nan 0.000 0.416 223 K N 0.134 120.098 120.400 -0.727 0.000 2.057 223 K HA -0.161 4.158 4.320 -0.002 0.000 0.207 223 K C 2.334 178.576 176.600 -0.597 0.000 1.049 223 K CA 1.086 56.598 56.287 -1.291 0.000 0.931 223 K CB -0.003 32.028 32.500 -0.781 0.000 0.714 223 K HN 0.029 nan 8.250 nan 0.000 0.440 224 R N 0.653 120.963 120.500 -0.316 0.000 2.075 224 R HA -0.075 4.264 4.340 -0.002 0.000 0.232 224 R C 1.980 178.166 176.300 -0.190 0.000 1.126 224 R CA 1.600 57.593 56.100 -0.177 0.000 0.963 224 R CB -0.507 29.746 30.300 -0.078 0.000 0.858 224 R HN 0.299 nan 8.270 nan 0.000 0.435 225 A N 0.781 123.458 122.820 -0.239 0.000 1.972 225 A HA -0.051 4.268 4.320 -0.002 0.000 0.219 225 A C 2.337 179.846 177.584 -0.124 0.000 1.169 225 A CA 1.609 53.460 52.037 -0.310 0.000 0.635 225 A CB -0.588 18.140 19.000 -0.452 0.000 0.810 225 A HN 0.491 nan 8.150 nan 0.000 0.446 226 A N -0.165 122.565 122.820 -0.150 0.000 2.070 226 A HA -0.150 4.169 4.320 -0.002 0.000 0.220 226 A C 2.106 179.732 177.584 0.071 0.000 1.159 226 A CA 1.266 53.302 52.037 -0.001 0.000 0.656 226 A CB -0.456 18.614 19.000 0.116 0.000 0.800 226 A HN 0.547 nan 8.150 nan 0.000 0.453 227 R N -0.416 120.080 120.500 -0.007 0.000 2.280 227 R HA -0.055 4.284 4.340 -0.002 0.000 0.207 227 R C 1.303 177.606 176.300 0.006 0.000 1.043 227 R CA 1.402 57.511 56.100 0.015 0.000 1.006 227 R CB -0.328 29.959 30.300 -0.020 0.000 0.885 227 R HN 0.698 nan 8.270 nan 0.000 0.467 228 T N -3.700 110.845 114.554 -0.016 0.000 3.176 228 T HA 0.139 4.488 4.350 -0.002 0.000 0.263 228 T C -0.350 174.201 174.700 -0.248 0.000 1.021 228 T CA -0.576 61.449 62.100 -0.125 0.000 0.905 228 T CB 0.009 68.749 68.868 -0.215 0.000 1.057 228 T HN 0.054 nan 8.240 nan 0.000 0.558 229 W N 1.409 122.519 121.300 -0.317 0.000 2.761 229 W HA 0.594 5.252 4.660 -0.002 0.000 0.340 229 W C -0.920 175.529 176.519 -0.117 0.000 1.072 229 W CA -1.090 55.988 57.345 -0.445 0.000 1.215 229 W CB 1.283 29.949 29.460 -1.324 0.000 1.420 229 W HN -0.038 nan 8.180 nan 0.000 0.519 230 D N 3.591 124.129 120.400 0.229 0.000 2.313 230 D HA 0.238 4.877 4.640 -0.002 0.000 0.239 230 D C -1.161 175.453 176.300 0.523 0.000 1.142 230 D CA -2.341 51.828 54.000 0.281 0.000 0.847 230 D CB 1.734 42.610 40.800 0.127 0.000 1.082 230 D HN 0.020 nan 8.370 nan 0.000 0.480 231 P HA -0.116 nan 4.420 nan 0.000 0.234 231 P C 1.068 178.531 177.300 0.272 0.000 1.167 231 P CA 0.456 63.901 63.100 0.576 0.000 0.763 231 P CB 0.078 32.076 31.700 0.496 0.000 0.835 232 S N -0.350 115.468 115.700 0.197 0.000 2.442 232 S HA -0.053 4.416 4.470 -0.002 0.000 0.236 232 S C 2.079 176.698 174.600 0.032 0.000 1.007 232 S CA 1.241 59.499 58.200 0.096 0.000 0.965 232 S CB -1.612 61.633 63.200 0.076 0.000 0.773 232 S HN 0.237 nan 8.310 nan 0.000 0.504 233 G N 0.704 109.535 108.800 0.051 0.000 3.042 233 G HA2 0.218 4.177 3.960 -0.002 0.000 0.212 233 G HA3 0.218 4.177 3.960 -0.002 0.000 0.212 233 G C 0.163 174.937 174.900 -0.211 0.000 1.166 233 G CA -0.600 44.495 45.100 -0.008 0.000 0.767 233 G HN 0.525 nan 8.290 nan 0.000 0.546 234 K N -0.286 119.789 120.400 -0.543 0.000 3.451 234 K HA -0.256 4.063 4.320 -0.002 0.000 0.273 234 K C 1.174 176.939 176.600 -1.391 0.000 0.944 234 K CA 0.565 55.896 56.287 -1.593 0.000 0.734 234 K CB -1.488 30.380 32.500 -1.053 0.000 1.437 234 K HN 0.761 nan 8.250 nan 0.000 0.454 235 W N 0.215 121.061 121.300 -0.757 0.000 2.364 235 W HA -0.190 4.469 4.660 -0.001 0.000 0.281 235 W C 1.371 177.664 176.519 -0.376 0.000 1.219 235 W CA 1.218 58.366 57.345 -0.329 0.000 1.220 235 W CB -0.995 28.469 29.460 0.007 0.000 1.127 235 W HN 0.559 nan 8.180 nan 0.000 0.556 236 W N 1.126 121.920 121.300 -0.843 0.000 2.611 236 W HA 0.164 4.823 4.660 -0.002 0.000 0.251 236 W C 1.546 177.862 176.519 -0.338 0.000 1.265 236 W CA 1.152 58.142 57.345 -0.591 0.000 1.295 236 W CB -1.123 27.877 29.460 -0.766 0.000 1.129 236 W HN 0.048 nan 8.180 nan 0.000 0.630 237 E N 1.211 121.034 120.200 -0.628 0.000 2.028 237 E HA -0.134 4.215 4.350 -0.002 0.000 0.191 237 E C 2.496 178.741 176.600 -0.593 0.000 0.988 237 E CA 1.454 57.620 56.400 -0.390 0.000 0.799 237 E CB -0.508 28.966 29.700 -0.377 0.000 0.755 237 E HN 0.324 nan 8.360 nan 0.000 0.447 238 A N -0.083 122.271 122.820 -0.775 0.000 2.066 238 A HA 0.088 4.407 4.320 -0.002 0.000 0.218 238 A C 1.907 179.238 177.584 -0.423 0.000 1.157 238 A CA 1.568 52.945 52.037 -1.101 0.000 0.670 238 A CB -0.274 18.439 19.000 -0.479 0.000 0.804 238 A HN 0.440 nan 8.150 nan 0.000 0.453 239 G N -3.208 105.480 108.800 -0.187 0.000 2.339 239 G HA2 0.165 4.124 3.960 -0.002 0.000 0.209 239 G HA3 0.165 4.124 3.960 -0.002 0.000 0.209 239 G C 1.579 176.536 174.900 0.096 0.000 1.015 239 G CA 0.856 45.950 45.100 -0.011 0.000 0.635 239 G HN 2.041 nan 8.290 nan 0.000 0.499 240 G N -0.625 108.259 108.800 0.139 0.000 2.284 240 G HA2 0.389 4.348 3.960 -0.002 0.000 0.230 240 G HA3 0.389 4.348 3.960 -0.002 0.000 0.230 240 G C 1.434 176.507 174.900 0.288 0.000 1.021 240 G CA 0.977 46.222 45.100 0.242 0.000 0.619 240 G HN 2.839 nan 8.290 nan 0.000 0.510 241 G N -0.609 108.310 108.800 0.198 0.000 2.488 241 G HA2 0.433 4.392 3.960 -0.002 0.000 0.237 241 G HA3 0.433 4.392 3.960 -0.002 0.000 0.237 241 G C 1.347 176.369 174.900 0.203 0.000 1.209 241 G CA 1.904 47.119 45.100 0.192 0.000 0.929 241 G HN 2.533 nan 8.290 nan 0.000 0.578 242 G N -1.861 107.062 108.800 0.206 0.000 2.143 242 G HA2 0.153 4.112 3.960 -0.002 0.000 0.249 242 G HA3 0.153 4.112 3.960 -0.002 0.000 0.249 242 G C 1.026 176.052 174.900 0.211 0.000 0.981 242 G CA 1.528 46.756 45.100 0.214 0.000 0.665 242 G HN 2.775 nan 8.290 nan 0.000 0.528 243 T N -1.294 113.391 114.554 0.219 0.000 2.946 243 T HA 0.422 4.771 4.350 -0.002 0.000 0.312 243 T C 0.708 175.569 174.700 0.269 0.000 1.066 243 T CA 0.349 62.584 62.100 0.225 0.000 1.138 243 T CB 1.005 70.018 68.868 0.241 0.000 1.014 243 T HN 0.330 nan 8.240 nan 0.000 0.544 244 M N 3.940 123.647 119.600 0.178 0.000 2.480 244 M HA 0.258 4.737 4.480 -0.002 0.000 0.320 244 M C 0.458 176.824 176.300 0.109 0.000 1.141 244 M CA -0.649 54.708 55.300 0.096 0.000 1.102 244 M CB 0.571 33.245 32.600 0.123 0.000 1.249 244 M HN 0.867 nan 8.290 nan 0.000 0.446 245 W N 0.196 121.520 121.300 0.039 0.000 3.278 245 W HA 0.282 4.941 4.660 -0.001 0.000 0.308 245 W C -0.068 176.473 176.519 0.037 0.000 1.253 245 W CA 0.043 57.398 57.345 0.017 0.000 1.759 245 W CB -0.184 29.276 29.460 0.001 0.000 1.093 245 W HN 0.454 nan 8.180 nan 0.000 0.648 246 D N 0.817 121.132 120.400 -0.142 0.000 2.736 246 D HA 0.042 4.681 4.640 -0.002 0.000 0.146 246 D C 0.073 176.348 176.300 -0.042 0.000 1.409 246 D CA 0.344 54.283 54.000 -0.101 0.000 1.559 246 D CB 0.187 40.790 40.800 -0.327 0.000 1.683 246 D HN -0.212 nan 8.370 nan 0.000 0.196 247 S N 0.325 115.981 115.700 -0.074 0.000 2.533 247 S HA 0.534 5.003 4.470 -0.002 0.000 0.282 247 S C -0.198 174.440 174.600 0.062 0.000 1.304 247 S CA 0.129 58.346 58.200 0.028 0.000 1.063 247 S CB -0.274 62.947 63.200 0.035 0.000 0.881 247 S HN 0.240 nan 8.310 nan 0.000 0.493 248 M N 3.653 123.336 119.600 0.137 0.000 2.421 248 M HA 0.383 4.862 4.480 -0.002 0.000 0.287 248 M C -0.589 175.919 176.300 0.346 0.000 1.183 248 M CA -0.639 54.794 55.300 0.221 0.000 0.916 248 M CB 2.711 35.445 32.600 0.223 0.000 1.701 248 M HN 0.787 nan 8.290 nan 0.000 0.470 249 T N -1.089 113.687 114.554 0.370 0.000 2.812 249 T HA 0.856 5.205 4.350 -0.002 0.000 0.294 249 T C -1.535 173.269 174.700 0.173 0.000 1.159 249 T CA -0.740 61.570 62.100 0.349 0.000 1.008 249 T CB 2.449 71.451 68.868 0.223 0.000 1.289 249 T HN 0.541 nan 8.240 nan 0.000 0.514 250 F N 0.790 120.599 119.950 -0.235 0.000 2.596 250 F HA 0.601 5.127 4.527 -0.001 0.000 0.311 250 F C -2.053 173.609 175.800 -0.230 0.000 1.116 250 F CA -1.221 56.408 58.000 -0.618 0.000 0.957 250 F CB 2.090 40.001 39.000 -1.814 0.000 1.250 250 F HN 0.750 nan 8.300 nan 0.000 0.444 251 D N 4.321 124.406 120.400 -0.525 0.000 2.453 251 D HA 0.479 5.118 4.640 -0.002 0.000 0.238 251 D C 0.451 176.137 176.300 -1.023 0.000 1.088 251 D CA 0.135 53.812 54.000 -0.537 0.000 0.854 251 D CB 2.076 42.820 40.800 -0.092 0.000 1.076 251 D HN 0.755 nan 8.370 nan 0.000 0.533 252 A N 4.236 126.351 122.820 -1.176 0.000 1.930 252 A HA -0.133 4.186 4.320 -0.002 0.000 0.217 252 A C 1.774 179.147 177.584 -0.352 0.000 1.175 252 A CA 1.088 52.585 52.037 -0.900 0.000 0.627 252 A CB -0.206 18.522 19.000 -0.454 0.000 0.815 252 A HN 0.681 nan 8.150 nan 0.000 0.443 253 E N -0.121 119.933 120.200 -0.244 0.000 2.077 253 E HA -0.142 4.207 4.350 -0.002 0.000 0.193 253 E C 1.591 178.128 176.600 -0.106 0.000 0.989 253 E CA 1.175 57.502 56.400 -0.123 0.000 0.800 253 E CB -0.268 29.381 29.700 -0.084 0.000 0.746 253 E HN 0.642 nan 8.360 nan 0.000 0.452 254 L N 0.463 121.608 121.223 -0.130 0.000 2.558 254 L HA 0.052 4.391 4.340 -0.002 0.000 0.225 254 L C 0.446 177.251 176.870 -0.108 0.000 1.128 254 L CA -0.205 54.586 54.840 -0.082 0.000 0.868 254 L CB -0.422 41.622 42.059 -0.025 0.000 1.006 254 L HN 0.123 nan 8.230 nan 0.000 0.454 255 N N 0.971 119.583 118.700 -0.147 0.000 2.705 255 N HA -0.171 4.568 4.740 -0.002 0.000 0.255 255 N C -0.817 174.636 175.510 -0.094 0.000 1.008 255 N CA 0.898 53.913 53.050 -0.058 0.000 0.742 255 N CB -0.685 37.788 38.487 -0.023 0.000 0.906 255 N HN 0.212 nan 8.380 nan 0.000 0.541 256 T N 0.896 115.340 114.554 -0.184 0.000 2.921 256 T HA 0.567 4.916 4.350 -0.002 0.000 0.297 256 T C 0.222 174.607 174.700 -0.525 0.000 1.013 256 T CA -0.756 61.100 62.100 -0.407 0.000 0.990 256 T CB 1.171 69.736 68.868 -0.506 0.000 1.023 256 T HN 0.358 nan 8.240 nan 0.000 0.447 257 M N 1.614 120.858 119.600 -0.592 0.000 2.654 257 M HA 0.826 5.305 4.480 -0.002 0.000 0.310 257 M C -1.739 174.055 176.300 -0.843 0.000 1.211 257 M CA -0.781 54.216 55.300 -0.504 0.000 0.947 257 M CB 1.458 33.953 32.600 -0.176 0.000 1.647 257 M HN 0.501 nan 8.290 nan 0.000 0.481 258 Y N 0.041 120.255 120.300 -0.144 0.000 2.442 258 Y HA 0.755 5.304 4.550 -0.002 0.000 0.344 258 Y C -0.872 174.977 175.900 -0.085 0.000 0.976 258 Y CA -1.083 56.899 58.100 -0.196 0.000 1.040 258 Y CB 2.145 40.503 38.460 -0.170 0.000 1.228 258 Y HN 0.652 nan 8.280 nan 0.000 0.451 259 V N 1.987 121.910 119.914 0.016 0.000 2.709 259 V HA 0.884 5.003 4.120 -0.002 0.000 0.308 259 V C -0.346 175.762 176.094 0.024 0.000 1.062 259 V CA -0.507 61.819 62.300 0.045 0.000 0.901 259 V CB 1.882 33.750 31.823 0.074 0.000 1.003 259 V HN 0.925 nan 8.190 nan 0.000 0.425 260 G N 3.575 112.376 108.800 0.001 0.000 2.338 260 G HA2 0.557 4.516 3.960 -0.002 0.000 0.298 260 G HA3 0.557 4.516 3.960 -0.002 0.000 0.298 260 G C 0.009 174.929 174.900 0.033 0.000 1.140 260 G CA 0.266 45.358 45.100 -0.013 0.000 0.860 260 G HN 1.121 nan 8.290 nan 0.000 0.470 261 T N 0.022 114.637 114.554 0.102 0.000 2.943 261 T HA 0.746 5.095 4.350 -0.002 0.000 0.284 261 T C 0.833 175.607 174.700 0.125 0.000 1.015 261 T CA -0.096 62.095 62.100 0.151 0.000 1.042 261 T CB 1.940 70.961 68.868 0.254 0.000 1.055 261 T HN 0.653 nan 8.240 nan 0.000 0.500 262 G N 1.342 110.243 108.800 0.168 0.000 2.531 262 G HA2 0.411 4.370 3.960 -0.002 0.000 0.281 262 G HA3 0.411 4.370 3.960 -0.002 0.000 0.281 262 G C 0.114 175.114 174.900 0.166 0.000 1.382 262 G CA -1.059 44.168 45.100 0.213 0.000 1.045 262 G HN 1.067 nan 8.290 nan 0.000 0.533 263 N N -0.449 118.338 118.700 0.146 0.000 2.381 263 N HA 0.310 5.049 4.740 -0.002 0.000 0.254 263 N C 0.392 175.934 175.510 0.053 0.000 1.264 263 N CA 0.037 53.101 53.050 0.023 0.000 0.942 263 N CB 0.662 39.059 38.487 -0.151 0.000 1.190 263 N HN 0.556 nan 8.380 nan 0.000 0.495 264 G N -0.836 107.961 108.800 -0.004 0.000 2.503 264 G HA2 0.336 4.295 3.960 -0.002 0.000 0.257 264 G HA3 0.336 4.295 3.960 -0.002 0.000 0.257 264 G C -0.850 174.136 174.900 0.144 0.000 1.214 264 G CA -0.455 44.689 45.100 0.074 0.000 0.839 264 G HN 0.513 nan 8.290 nan 0.000 0.559 265 S N 3.315 119.118 115.700 0.172 0.000 2.596 265 S HA 0.514 4.983 4.470 -0.002 0.000 0.318 265 S C -2.243 172.391 174.600 0.057 0.000 1.097 265 S CA -0.806 57.474 58.200 0.134 0.000 1.080 265 S CB 2.475 65.752 63.200 0.130 0.000 0.991 265 S HN 0.606 nan 8.310 nan 0.000 0.471 266 P HA 0.165 nan 4.420 nan 0.000 0.275 266 P C 0.186 177.467 177.300 -0.031 0.000 1.266 266 P CA -0.450 62.491 63.100 -0.264 0.000 0.793 266 P CB 0.607 31.767 31.700 -0.900 0.000 1.074 267 W N -0.338 120.789 121.300 -0.288 0.000 2.388 267 W HA -0.035 4.624 4.660 -0.001 0.000 0.294 267 W C 0.946 177.270 176.519 -0.325 0.000 1.212 267 W CA 0.588 57.778 57.345 -0.259 0.000 1.271 267 W CB -1.958 27.363 29.460 -0.232 0.000 1.126 267 W HN 0.136 nan 8.180 nan 0.000 0.535 268 S N 0.896 116.526 115.700 -0.116 0.000 2.465 268 S HA -0.055 4.414 4.470 -0.002 0.000 0.280 268 S C 1.169 175.672 174.600 -0.162 0.000 1.232 268 S CA -0.254 57.828 58.200 -0.197 0.000 1.066 268 S CB 0.298 63.360 63.200 -0.230 0.000 0.929 268 S HN 0.253 nan 8.310 nan 0.000 0.494 269 H N 4.331 123.214 119.070 -0.311 0.000 2.387 269 H HA -0.056 4.499 4.556 -0.002 0.000 0.299 269 H C 1.443 176.657 175.328 -0.190 0.000 1.090 269 H CA 1.539 57.419 56.048 -0.279 0.000 1.332 269 H CB 0.183 29.737 29.762 -0.347 0.000 1.386 269 H HN 0.531 nan 8.280 nan 0.000 0.516 270 K N 0.050 120.313 120.400 -0.229 0.000 2.283 270 K HA -0.043 4.276 4.320 -0.002 0.000 0.202 270 K C 2.120 178.629 176.600 -0.152 0.000 1.048 270 K CA 0.848 56.999 56.287 -0.226 0.000 0.948 270 K CB 0.431 32.854 32.500 -0.129 0.000 0.742 270 K HN 0.132 nan 8.250 nan 0.000 0.458 271 V N 0.561 120.399 119.914 -0.127 0.000 2.426 271 V HA -0.093 4.026 4.120 -0.002 0.000 0.242 271 V C 2.256 178.333 176.094 -0.028 0.000 1.036 271 V CA 1.115 63.381 62.300 -0.057 0.000 1.044 271 V CB -0.296 31.469 31.823 -0.096 0.000 0.688 271 V HN 0.235 nan 8.190 nan 0.000 0.462 272 R N 0.313 120.769 120.500 -0.072 0.000 2.081 272 R HA -0.074 4.265 4.340 -0.002 0.000 0.235 272 R C 1.075 177.431 176.300 0.094 0.000 1.131 272 R CA 1.619 57.737 56.100 0.030 0.000 0.960 272 R CB -0.019 30.295 30.300 0.024 0.000 0.856 272 R HN 0.416 nan 8.270 nan 0.000 0.436 273 S N -0.434 115.223 115.700 -0.071 0.000 2.293 273 S HA 0.323 4.792 4.470 -0.002 0.000 0.154 273 S C -2.278 172.190 174.600 -0.219 0.000 1.602 273 S CA -1.514 56.636 58.200 -0.082 0.000 1.260 273 S CB 1.434 64.499 63.200 -0.225 0.000 1.270 273 S HN 0.028 nan 8.310 nan 0.000 0.416 274 P HA -0.140 nan 4.420 nan 0.000 0.216 274 P C 0.685 177.912 177.300 -0.123 0.000 1.157 274 P CA 1.468 64.503 63.100 -0.108 0.000 0.880 274 P CB 0.153 31.835 31.700 -0.029 0.000 0.791 275 K N -1.386 118.969 120.400 -0.075 0.000 2.487 275 K HA 0.304 4.623 4.320 -0.002 0.000 0.192 275 K C 0.991 177.542 176.600 -0.081 0.000 1.027 275 K CA 0.348 56.602 56.287 -0.055 0.000 1.054 275 K CB -0.047 32.450 32.500 -0.005 0.000 0.824 275 K HN 0.232 nan 8.250 nan 0.000 0.510 276 G N -0.147 108.549 108.800 -0.173 0.000 2.409 276 G HA2 0.264 4.223 3.960 -0.002 0.000 0.421 276 G HA3 0.264 4.223 3.960 -0.002 0.000 0.421 276 G C -0.447 174.401 174.900 -0.087 0.000 1.259 276 G CA -0.780 44.234 45.100 -0.142 0.000 1.011 276 G HN 0.498 nan 8.290 nan 0.000 0.497 277 G N -1.579 107.223 108.800 0.002 0.000 2.697 277 G HA2 0.422 4.381 3.960 -0.002 0.000 0.684 277 G HA3 0.422 4.381 3.960 -0.002 0.000 0.684 277 G C -0.018 174.790 174.900 -0.152 0.000 1.274 277 G CA 0.638 45.681 45.100 -0.095 0.000 0.806 277 G HN 1.119 nan 8.290 nan 0.000 0.644 278 D N 0.427 120.687 120.400 -0.234 0.000 2.264 278 D HA -0.041 4.598 4.640 -0.002 0.000 0.208 278 D C 1.321 177.328 176.300 -0.487 0.000 0.966 278 D CA 1.192 55.018 54.000 -0.290 0.000 0.864 278 D CB -0.208 40.474 40.800 -0.197 0.000 0.933 278 D HN 0.775 nan 8.370 nan 0.000 0.499 279 N N -0.110 118.117 118.700 -0.788 0.000 2.699 279 N HA -0.172 4.567 4.740 -0.002 0.000 0.257 279 N C -0.726 174.373 175.510 -0.685 0.000 1.077 279 N CA -0.374 51.773 53.050 -1.506 0.000 0.702 279 N CB -1.205 36.303 38.487 -1.632 0.000 0.886 279 N HN 0.233 nan 8.380 nan 0.000 0.549 280 L N 0.762 121.728 121.223 -0.428 0.000 2.439 280 L HA 0.062 4.401 4.340 -0.002 0.000 0.269 280 L C 0.573 177.281 176.870 -0.270 0.000 1.179 280 L CA 0.175 54.735 54.840 -0.467 0.000 0.828 280 L CB 0.115 41.608 42.059 -0.944 0.000 1.106 280 L HN 0.239 nan 8.230 nan 0.000 0.467 281 Y N 2.492 122.880 120.300 0.146 0.000 2.833 281 Y HA 0.340 4.889 4.550 -0.002 0.000 0.339 281 Y C 0.341 176.315 175.900 0.123 0.000 1.032 281 Y CA -0.530 57.619 58.100 0.082 0.000 1.450 281 Y CB -0.200 38.396 38.460 0.226 0.000 1.296 281 Y HN 0.364 nan 8.280 nan 0.000 0.535 282 L N 0.789 122.101 121.223 0.147 0.000 2.483 282 L HA 0.191 4.530 4.340 -0.002 0.000 0.275 282 L C 1.177 178.102 176.870 0.092 0.000 1.220 282 L CA -0.022 54.889 54.840 0.119 0.000 0.833 282 L CB 0.351 42.415 42.059 0.008 0.000 1.102 282 L HN 0.530 nan 8.230 nan 0.000 0.490 283 A N 2.214 125.095 122.820 0.102 0.000 2.687 283 A HA -0.154 4.165 4.320 -0.002 0.000 0.299 283 A C 0.289 177.923 177.584 0.083 0.000 1.497 283 A CA 0.909 52.995 52.037 0.083 0.000 0.751 283 A CB -1.748 17.277 19.000 0.042 0.000 1.048 283 A HN 0.612 nan 8.150 nan 0.000 0.464 284 S N -0.673 115.109 115.700 0.137 0.000 2.661 284 S HA 0.812 5.281 4.470 -0.002 0.000 0.285 284 S C -0.262 174.431 174.600 0.155 0.000 1.138 284 S CA -0.779 57.522 58.200 0.167 0.000 0.855 284 S CB 1.355 64.735 63.200 0.299 0.000 1.136 284 S HN 0.496 nan 8.310 nan 0.000 0.484 285 I N 2.438 123.114 120.570 0.177 0.000 2.336 285 I HA 0.454 4.623 4.170 -0.002 0.000 0.292 285 I C -0.709 175.511 176.117 0.172 0.000 0.991 285 I CA -0.455 60.910 61.300 0.107 0.000 1.227 285 I CB 1.196 39.244 38.000 0.080 0.000 1.366 285 I HN 0.285 nan 8.210 nan 0.000 0.466 286 V N 5.578 125.495 119.914 0.005 0.000 2.555 286 V HA 0.672 4.791 4.120 -0.002 0.000 0.302 286 V C 0.269 176.026 176.094 -0.562 0.000 1.038 286 V CA -0.788 61.379 62.300 -0.221 0.000 0.887 286 V CB 1.839 33.498 31.823 -0.275 0.000 0.991 286 V HN 0.841 nan 8.190 nan 0.000 0.434 287 A N 6.051 128.237 122.820 -1.056 0.000 2.276 287 A HA 0.907 5.226 4.320 -0.002 0.000 0.316 287 A C -0.805 176.085 177.584 -1.156 0.000 1.229 287 A CA -0.397 50.821 52.037 -1.367 0.000 0.851 287 A CB 0.517 18.043 19.000 -2.456 0.000 1.165 287 A HN 0.787 nan 8.150 nan 0.000 0.513 288 L N 1.198 121.865 121.223 -0.925 0.000 2.333 288 L HA 0.446 4.785 4.340 -0.002 0.000 0.263 288 L C -0.471 176.024 176.870 -0.624 0.000 1.014 288 L CA -1.106 53.260 54.840 -0.790 0.000 0.820 288 L CB 1.902 43.512 42.059 -0.748 0.000 1.352 288 L HN 0.669 nan 8.230 nan 0.000 0.421 289 D N 2.914 122.979 120.400 -0.557 0.000 2.325 289 D HA 0.120 4.759 4.640 -0.002 0.000 0.251 289 D C -1.715 174.340 176.300 -0.409 0.000 1.196 289 D CA -1.717 52.038 54.000 -0.409 0.000 0.866 289 D CB 1.811 42.400 40.800 -0.353 0.000 1.101 289 D HN 0.241 nan 8.370 nan 0.000 0.476 290 P HA -0.092 nan 4.420 nan 0.000 0.223 290 P C 0.450 177.812 177.300 0.103 0.000 1.151 290 P CA 0.691 63.777 63.100 -0.024 0.000 0.787 290 P CB 0.645 32.284 31.700 -0.101 0.000 0.788 291 D N -0.268 120.109 120.400 -0.038 0.000 2.162 291 D HA -0.053 4.586 4.640 -0.002 0.000 0.203 291 D C 1.828 178.116 176.300 -0.021 0.000 0.967 291 D CA 1.950 55.968 54.000 0.029 0.000 0.840 291 D CB -0.339 40.449 40.800 -0.020 0.000 0.972 291 D HN 0.338 nan 8.370 nan 0.000 0.482 292 T N -4.192 110.150 114.554 -0.353 0.000 2.975 292 T HA 0.382 4.731 4.350 -0.002 0.000 0.257 292 T C 1.624 175.628 174.700 -1.160 0.000 1.003 292 T CA 0.623 62.426 62.100 -0.495 0.000 0.932 292 T CB 1.036 69.727 68.868 -0.296 0.000 1.087 292 T HN 0.156 nan 8.240 nan 0.000 0.512 293 G N 1.898 109.567 108.800 -1.885 0.000 2.162 293 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.260 293 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.260 293 G C -0.048 174.274 174.900 -0.963 0.000 0.976 293 G CA 0.444 44.170 45.100 -2.290 0.000 0.655 293 G HN 0.852 nan 8.290 nan 0.000 0.533 294 K N 0.054 120.065 120.400 -0.648 0.000 2.322 294 K HA 0.416 4.735 4.320 -0.002 0.000 0.283 294 K C 0.563 176.914 176.600 -0.415 0.000 1.042 294 K CA -0.932 55.136 56.287 -0.366 0.000 0.958 294 K CB 0.233 32.595 32.500 -0.230 0.000 0.984 294 K HN 0.257 nan 8.250 nan 0.000 0.473 295 Y N 4.331 124.347 120.300 -0.473 0.000 2.717 295 Y HA -0.139 4.410 4.550 -0.002 0.000 0.330 295 Y C 0.405 176.082 175.900 -0.371 0.000 1.217 295 Y CA 0.991 58.763 58.100 -0.545 0.000 1.506 295 Y CB 0.723 38.989 38.460 -0.323 0.000 1.268 295 Y HN 0.678 nan 8.280 nan 0.000 0.561 296 K N 6.032 125.845 120.400 -0.978 0.000 2.273 296 K HA 0.150 4.469 4.320 -0.002 0.000 0.206 296 K C -0.626 175.500 176.600 -0.789 0.000 1.072 296 K CA 0.642 56.492 56.287 -0.727 0.000 0.953 296 K CB 0.676 32.758 32.500 -0.696 0.000 1.043 296 K HN 0.845 nan 8.250 nan 0.000 0.477 297 W N 0.216 120.851 121.300 -1.108 0.000 2.926 297 W HA 0.312 4.972 4.660 -0.001 0.000 0.361 297 W C -1.329 174.930 176.519 -0.433 0.000 1.195 297 W CA -0.770 56.150 57.345 -0.708 0.000 1.177 297 W CB 0.391 29.682 29.460 -0.282 0.000 1.453 297 W HN 0.014 nan 8.180 nan 0.000 0.571 298 H N -0.634 118.735 119.070 0.498 0.000 3.017 298 H HA 0.563 5.118 4.556 -0.001 0.000 0.346 298 H C -2.508 173.160 175.328 0.566 0.000 1.286 298 H CA -0.772 55.584 56.048 0.514 0.000 1.120 298 H CB 2.644 32.666 29.762 0.433 0.000 1.860 298 H HN 0.577 nan 8.280 nan 0.000 0.542 299 Y N 1.448 121.935 120.300 0.312 0.000 2.346 299 Y HA 0.253 4.802 4.550 -0.002 0.000 0.332 299 Y C -0.832 175.238 175.900 0.284 0.000 0.985 299 Y CA -0.648 57.548 58.100 0.160 0.000 1.112 299 Y CB 1.967 40.500 38.460 0.122 0.000 1.170 299 Y HN 0.800 nan 8.280 nan 0.000 0.447 300 Q N 5.092 124.635 119.800 -0.428 0.000 2.322 300 Q HA 0.219 4.558 4.340 -0.002 0.000 0.256 300 Q C 0.072 175.720 176.000 -0.587 0.000 0.960 300 Q CA -0.089 55.557 55.803 -0.261 0.000 0.934 300 Q CB 1.153 29.882 28.738 -0.016 0.000 1.200 300 Q HN 0.959 nan 8.270 nan 0.000 0.435 301 E N 1.641 121.664 120.200 -0.294 0.000 2.112 301 E HA -0.014 4.335 4.350 -0.002 0.000 0.190 301 E C -0.320 176.389 176.600 0.180 0.000 0.979 301 E CA 0.840 57.158 56.400 -0.135 0.000 0.814 301 E CB 0.573 30.090 29.700 -0.306 0.000 0.762 301 E HN 0.463 nan 8.360 nan 0.000 0.460 302 T N 2.648 117.252 114.554 0.084 0.000 3.141 302 T HA 0.270 4.619 4.350 -0.002 0.000 0.377 302 T C -2.678 172.032 174.700 0.016 0.000 1.258 302 T CA -1.395 60.770 62.100 0.109 0.000 1.263 302 T CB 1.535 70.430 68.868 0.046 0.000 1.066 302 T HN -0.131 nan 8.240 nan 0.000 0.546 303 P HA 0.301 nan 4.420 nan 0.000 0.271 303 P C 0.965 178.139 177.300 -0.210 0.000 1.218 303 P CA 0.548 63.584 63.100 -0.106 0.000 0.780 303 P CB 0.412 32.068 31.700 -0.074 0.000 0.901 304 G N 1.772 110.312 108.800 -0.433 0.000 2.338 304 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.296 304 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.296 304 G C 0.006 174.441 174.900 -0.776 0.000 1.040 304 G CA 0.114 44.631 45.100 -0.972 0.000 1.004 304 G HN 0.710 nan 8.290 nan 0.000 0.509 305 D N -0.752 119.381 120.400 -0.444 0.000 2.533 305 D HA 0.207 4.846 4.640 -0.002 0.000 0.236 305 D C 1.018 176.978 176.300 -0.567 0.000 1.137 305 D CA 0.684 54.480 54.000 -0.339 0.000 0.867 305 D CB 0.346 41.030 40.800 -0.193 0.000 1.170 305 D HN 0.252 nan 8.370 nan 0.000 0.474 306 N N 3.085 121.206 118.700 -0.966 0.000 2.167 306 N HA 0.147 4.886 4.740 -0.002 0.000 0.234 306 N C -0.901 173.809 175.510 -1.334 0.000 1.312 306 N CA -0.468 51.822 53.050 -1.266 0.000 0.861 306 N CB 0.494 37.906 38.487 -1.791 0.000 1.217 306 N HN 0.514 nan 8.380 nan 0.000 0.504 307 W N 0.203 121.109 121.300 -0.655 0.000 1.686 307 W HA 0.311 4.970 4.660 -0.002 0.000 0.263 307 W C -0.141 175.732 176.519 -1.077 0.000 0.860 307 W CA -0.459 56.358 57.345 -0.880 0.000 1.635 307 W CB 0.038 28.634 29.460 -1.441 0.000 0.998 307 W HN 0.027 nan 8.180 nan 0.000 0.464 308 D N 0.769 120.607 120.400 -0.936 0.000 2.835 308 D HA -0.246 4.393 4.640 -0.002 0.000 0.230 308 D C -0.565 175.545 176.300 -0.317 0.000 1.130 308 D CA 0.917 54.289 54.000 -1.047 0.000 0.738 308 D CB -1.817 37.975 40.800 -1.680 0.000 1.090 308 D HN 0.414 nan 8.370 nan 0.000 0.433 309 Y N 1.094 121.261 120.300 -0.221 0.000 2.632 309 Y HA 0.194 4.743 4.550 -0.002 0.000 0.336 309 Y C 1.532 177.400 175.900 -0.053 0.000 1.237 309 Y CA -0.384 57.645 58.100 -0.119 0.000 1.595 309 Y CB -0.020 38.340 38.460 -0.167 0.000 1.508 309 Y HN 0.067 nan 8.280 nan 0.000 0.480 310 T N -2.161 112.495 114.554 0.170 0.000 2.856 310 T HA 0.046 4.395 4.350 -0.002 0.000 0.306 310 T C 0.924 175.693 174.700 0.114 0.000 1.062 310 T CA -0.634 61.563 62.100 0.161 0.000 1.083 310 T CB 1.406 70.439 68.868 0.275 0.000 0.984 310 T HN 0.427 nan 8.240 nan 0.000 0.542 311 S N 0.126 115.886 115.700 0.099 0.000 2.663 311 S HA 0.145 4.614 4.470 -0.002 0.000 0.243 311 S C 1.866 176.546 174.600 0.134 0.000 1.009 311 S CA -0.063 58.236 58.200 0.165 0.000 0.988 311 S CB -0.121 63.187 63.200 0.179 0.000 0.896 311 S HN 0.987 nan 8.310 nan 0.000 0.502 312 T N -0.959 113.538 114.554 -0.095 0.000 3.118 312 T HA 0.097 4.446 4.350 -0.002 0.000 0.260 312 T C 0.664 175.217 174.700 -0.244 0.000 1.139 312 T CA 0.164 62.071 62.100 -0.322 0.000 1.085 312 T CB -0.151 68.102 68.868 -1.027 0.000 0.934 312 T HN 0.099 nan 8.240 nan 0.000 0.518 313 Q N 2.817 122.565 119.800 -0.087 0.000 2.428 313 Q HA 0.256 4.595 4.340 -0.002 0.000 0.276 313 Q C -2.517 173.563 176.000 0.132 0.000 1.059 313 Q CA -1.680 54.077 55.803 -0.077 0.000 0.923 313 Q CB -0.023 28.588 28.738 -0.211 0.000 1.283 313 Q HN 0.230 nan 8.270 nan 0.000 0.447 314 P HA -0.061 nan 4.420 nan 0.000 0.265 314 P C -0.767 176.682 177.300 0.248 0.000 1.222 314 P CA 0.347 63.562 63.100 0.191 0.000 0.767 314 P CB 0.101 31.926 31.700 0.207 0.000 0.801 315 M N 3.314 123.031 119.600 0.195 0.000 2.283 315 M HA 0.571 5.050 4.480 -0.002 0.000 0.314 315 M C -0.740 175.597 176.300 0.062 0.000 1.153 315 M CA -0.253 55.119 55.300 0.121 0.000 1.084 315 M CB 1.020 33.556 32.600 -0.107 0.000 1.468 315 M HN 0.058 nan 8.290 nan 0.000 0.474 316 I N 2.435 123.005 120.570 -0.001 0.000 2.499 316 I HA 0.372 4.541 4.170 -0.002 0.000 0.288 316 I C -0.994 175.058 176.117 -0.109 0.000 1.048 316 I CA -0.775 60.518 61.300 -0.012 0.000 1.062 316 I CB 2.253 40.257 38.000 0.007 0.000 1.238 316 I HN 0.713 nan 8.210 nan 0.000 0.426 317 L N 5.813 126.979 121.223 -0.096 0.000 2.305 317 L HA 0.792 5.131 4.340 -0.002 0.000 0.281 317 L C 0.142 176.930 176.870 -0.137 0.000 1.085 317 L CA -0.245 54.499 54.840 -0.158 0.000 0.813 317 L CB 1.275 43.250 42.059 -0.140 0.000 1.157 317 L HN 0.705 nan 8.230 nan 0.000 0.436 318 A N 2.347 125.051 122.820 -0.193 0.000 2.587 318 A HA 0.676 4.995 4.320 -0.002 0.000 0.293 318 A C -1.750 175.753 177.584 -0.135 0.000 1.087 318 A CA -0.727 51.190 52.037 -0.200 0.000 0.692 318 A CB 1.724 20.378 19.000 -0.577 0.000 1.291 318 A HN 0.595 nan 8.150 nan 0.000 0.407 319 D N 1.600 121.969 120.400 -0.051 0.000 2.440 319 D HA 0.596 5.235 4.640 -0.002 0.000 0.239 319 D C -0.348 175.950 176.300 -0.005 0.000 1.084 319 D CA 0.326 54.307 54.000 -0.031 0.000 0.843 319 D CB 1.104 41.902 40.800 -0.003 0.000 1.097 319 D HN 0.667 nan 8.370 nan 0.000 0.531 320 I N -2.557 117.990 120.570 -0.038 0.000 3.074 320 I HA 0.547 4.716 4.170 -0.002 0.000 0.310 320 I C -0.702 175.394 176.117 -0.036 0.000 1.153 320 I CA -1.205 60.084 61.300 -0.018 0.000 0.993 320 I CB 2.427 40.406 38.000 -0.034 0.000 1.237 320 I HN -0.234 nan 8.210 nan 0.000 0.443 321 K N 3.894 124.276 120.400 -0.029 0.000 2.227 321 K HA 0.673 4.992 4.320 -0.002 0.000 0.280 321 K C -1.093 175.476 176.600 -0.052 0.000 1.041 321 K CA -0.373 55.891 56.287 -0.039 0.000 0.905 321 K CB 1.763 34.244 32.500 -0.031 0.000 1.068 321 K HN 0.499 nan 8.250 nan 0.000 0.470 322 I N 1.508 122.043 120.570 -0.058 0.000 2.533 322 I HA 0.199 4.368 4.170 -0.002 0.000 0.290 322 I C 0.234 176.315 176.117 -0.060 0.000 1.056 322 I CA -0.678 60.582 61.300 -0.067 0.000 1.057 322 I CB 1.951 39.902 38.000 -0.083 0.000 1.240 322 I HN 0.846 nan 8.210 nan 0.000 0.423 323 A N 4.452 127.237 122.820 -0.057 0.000 2.783 323 A HA -0.124 4.195 4.320 -0.002 0.000 0.292 323 A C 1.352 178.911 177.584 -0.042 0.000 1.495 323 A CA 1.054 53.062 52.037 -0.048 0.000 0.787 323 A CB -1.976 16.995 19.000 -0.047 0.000 1.017 323 A HN 2.024 nan 8.150 nan 0.000 0.516 324 G N -2.520 106.255 108.800 -0.042 0.000 2.168 324 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.257 324 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.257 324 G C -0.012 174.868 174.900 -0.033 0.000 0.997 324 G CA 1.206 46.285 45.100 -0.036 0.000 0.708 324 G HN 1.086 nan 8.290 nan 0.000 0.520 325 K N 0.213 120.590 120.400 -0.038 0.000 2.375 325 K HA 0.559 4.878 4.320 -0.002 0.000 0.249 325 K C -2.559 174.017 176.600 -0.039 0.000 0.942 325 K CA -2.441 53.825 56.287 -0.036 0.000 0.806 325 K CB 2.520 34.998 32.500 -0.038 0.000 1.227 325 K HN 0.033 nan 8.250 nan 0.000 0.430 326 P HA 0.221 nan 4.420 nan 0.000 0.276 326 P C -0.595 176.678 177.300 -0.045 0.000 1.235 326 P CA -0.318 62.761 63.100 -0.035 0.000 0.772 326 P CB 0.775 32.459 31.700 -0.027 0.000 0.871 327 R N 2.736 123.204 120.500 -0.054 0.000 2.750 327 R HA 0.422 4.761 4.340 -0.002 0.000 0.281 327 R C -0.001 176.256 176.300 -0.072 0.000 0.972 327 R CA -0.950 55.109 56.100 -0.068 0.000 0.912 327 R CB 2.036 32.285 30.300 -0.086 0.000 1.187 327 R HN 0.443 nan 8.270 nan 0.000 0.464 328 K N 1.815 122.170 120.400 -0.075 0.000 2.292 328 K HA 0.351 4.670 4.320 -0.002 0.000 0.270 328 K C 0.188 176.723 176.600 -0.107 0.000 1.062 328 K CA -0.520 55.720 56.287 -0.078 0.000 0.916 328 K CB 1.419 33.886 32.500 -0.054 0.000 1.166 328 K HN 0.447 nan 8.250 nan 0.000 0.458 329 V N 0.478 120.310 119.914 -0.136 0.000 3.166 329 V HA 0.647 4.766 4.120 -0.002 0.000 0.317 329 V C -0.400 175.572 176.094 -0.204 0.000 1.136 329 V CA -1.084 61.117 62.300 -0.165 0.000 1.035 329 V CB 1.546 33.273 31.823 -0.160 0.000 1.110 329 V HN 0.548 nan 8.190 nan 0.000 0.450 330 I N 1.634 122.083 120.570 -0.202 0.000 2.433 330 I HA 0.485 4.654 4.170 -0.002 0.000 0.292 330 I C -0.832 175.195 176.117 -0.150 0.000 1.001 330 I CA -0.524 60.645 61.300 -0.217 0.000 1.119 330 I CB 1.863 39.721 38.000 -0.237 0.000 1.289 330 I HN 0.465 nan 8.210 nan 0.000 0.438 331 L N 6.075 127.213 121.223 -0.142 0.000 2.307 331 L HA 0.567 4.906 4.340 -0.002 0.000 0.284 331 L C -0.417 176.360 176.870 -0.155 0.000 1.023 331 L CA -0.505 54.267 54.840 -0.115 0.000 0.810 331 L CB 1.250 43.284 42.059 -0.042 0.000 1.231 331 L HN 0.596 nan 8.230 nan 0.000 0.423 332 H N 2.509 121.259 119.070 -0.534 0.000 3.087 332 H HA 0.555 5.110 4.556 -0.002 0.000 0.348 332 H C -1.621 173.399 175.328 -0.514 0.000 1.092 332 H CA -0.621 55.205 56.048 -0.369 0.000 1.285 332 H CB 2.272 31.951 29.762 -0.140 0.000 1.875 332 H HN 0.681 nan 8.280 nan 0.000 0.512 333 A N 7.086 129.530 122.820 -0.628 0.000 2.943 333 A HA 0.346 4.665 4.320 -0.002 0.000 0.327 333 A C -2.898 174.625 177.584 -0.102 0.000 1.141 333 A CA -1.300 50.474 52.037 -0.439 0.000 0.773 333 A CB 0.566 19.092 19.000 -0.791 0.000 1.143 333 A HN 0.417 nan 8.150 nan 0.000 0.463 334 P HA 0.200 nan 4.420 nan 0.000 0.297 334 P C 0.570 177.924 177.300 0.090 0.000 1.303 334 P CA -0.262 62.771 63.100 -0.112 0.000 0.753 334 P CB 0.949 32.554 31.700 -0.157 0.000 1.281 335 K N -0.039 120.378 120.400 0.028 0.000 2.152 335 K HA -0.168 4.151 4.320 -0.002 0.000 0.206 335 K C 1.549 178.015 176.600 -0.223 0.000 1.048 335 K CA 1.979 58.274 56.287 0.013 0.000 0.933 335 K CB -0.691 31.871 32.500 0.104 0.000 0.721 335 K HN 0.508 nan 8.250 nan 0.000 0.447 336 N N 0.178 118.634 118.700 -0.408 0.000 2.609 336 N HA -0.074 4.665 4.740 -0.002 0.000 0.190 336 N C 0.955 176.430 175.510 -0.058 0.000 1.157 336 N CA 1.265 53.872 53.050 -0.739 0.000 0.918 336 N CB 0.058 38.154 38.487 -0.652 0.000 0.978 336 N HN 0.277 nan 8.380 nan 0.000 0.448 337 G N -1.853 106.857 108.800 -0.150 0.000 2.157 337 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.239 337 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.239 337 G C -0.426 173.987 174.900 -0.813 0.000 0.982 337 G CA 0.033 44.727 45.100 -0.676 0.000 0.650 337 G HN 0.312 nan 8.290 nan 0.000 0.527 338 F N -0.396 119.512 119.950 -0.071 0.000 2.480 338 F HA 0.707 5.233 4.527 -0.002 0.000 0.329 338 F C 0.152 175.921 175.800 -0.051 0.000 1.091 338 F CA -1.389 56.527 58.000 -0.140 0.000 0.972 338 F CB 1.481 40.232 39.000 -0.414 0.000 1.150 338 F HN 0.026 nan 8.300 nan 0.000 0.467 339 F N 3.906 123.802 119.950 -0.089 0.000 2.391 339 F HA 0.519 5.045 4.527 -0.002 0.000 0.359 339 F C -1.158 174.460 175.800 -0.303 0.000 1.122 339 F CA -0.679 57.177 58.000 -0.240 0.000 1.120 339 F CB 0.238 38.883 39.000 -0.592 0.000 1.142 339 F HN 0.198 nan 8.300 nan 0.000 0.483 340 F N 5.024 124.844 119.950 -0.218 0.000 2.421 340 F HA 0.589 5.115 4.527 -0.002 0.000 0.337 340 F C -0.527 175.192 175.800 -0.134 0.000 1.105 340 F CA -0.974 56.957 58.000 -0.114 0.000 1.049 340 F CB 1.635 40.591 39.000 -0.073 0.000 1.139 340 F HN -0.000 nan 8.300 nan 0.000 0.479 341 V N 5.148 125.064 119.914 0.004 0.000 2.407 341 V HA 0.492 4.611 4.120 -0.002 0.000 0.291 341 V C -0.370 175.582 176.094 -0.237 0.000 1.018 341 V CA -0.680 61.577 62.300 -0.072 0.000 0.842 341 V CB 1.489 33.273 31.823 -0.066 0.000 0.996 341 V HN 0.548 nan 8.190 nan 0.000 0.426 342 L N 2.977 124.075 121.223 -0.208 0.000 2.341 342 L HA 0.628 4.967 4.340 -0.002 0.000 0.267 342 L C -0.301 176.431 176.870 -0.229 0.000 1.009 342 L CA -0.753 53.925 54.840 -0.271 0.000 0.819 342 L CB 2.146 44.061 42.059 -0.239 0.000 1.323 342 L HN 0.481 nan 8.230 nan 0.000 0.425 343 D N 1.620 121.867 120.400 -0.256 0.000 2.339 343 D HA 0.053 4.692 4.640 -0.002 0.000 0.256 343 D C 0.887 177.062 176.300 -0.208 0.000 1.214 343 D CA -0.266 53.603 54.000 -0.219 0.000 0.877 343 D CB 1.188 41.852 40.800 -0.227 0.000 1.111 343 D HN 0.575 nan 8.370 nan 0.000 0.478 344 R N 1.511 121.950 120.500 -0.101 0.000 2.313 344 R HA -0.031 4.308 4.340 -0.002 0.000 0.199 344 R C 1.278 177.743 176.300 0.275 0.000 0.958 344 R CA 0.820 56.968 56.100 0.080 0.000 1.047 344 R CB -0.326 29.887 30.300 -0.144 0.000 0.955 344 R HN 0.333 nan 8.270 nan 0.000 0.481 345 T N -1.560 113.028 114.554 0.056 0.000 3.054 345 T HA 0.017 4.366 4.350 -0.002 0.000 0.259 345 T C 0.916 175.618 174.700 0.004 0.000 1.092 345 T CA 0.662 62.812 62.100 0.084 0.000 1.121 345 T CB -0.020 68.846 68.868 -0.004 0.000 0.912 345 T HN 0.543 nan 8.240 nan 0.000 0.489 346 N N -0.638 117.843 118.700 -0.365 0.000 1.986 346 N HA 0.261 5.000 4.740 -0.002 0.000 0.227 346 N C 1.265 175.793 175.510 -1.636 0.000 1.387 346 N CA 0.287 52.864 53.050 -0.789 0.000 0.810 346 N CB -0.014 38.236 38.487 -0.395 0.000 1.140 346 N HN 0.486 nan 8.380 nan 0.000 0.504 347 G N 0.483 108.158 108.800 -1.875 0.000 2.159 347 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.256 347 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.256 347 G C -0.330 174.198 174.900 -0.620 0.000 0.977 347 G CA 0.283 44.366 45.100 -1.694 0.000 0.652 347 G HN 0.420 nan 8.290 nan 0.000 0.531 348 K N -0.103 120.017 120.400 -0.467 0.000 2.401 348 K HA 0.343 4.662 4.320 -0.002 0.000 0.278 348 K C 0.331 176.830 176.600 -0.169 0.000 1.018 348 K CA -0.679 55.481 56.287 -0.212 0.000 0.981 348 K CB 0.548 32.952 32.500 -0.160 0.000 0.933 348 K HN 0.175 nan 8.250 nan 0.000 0.477 349 F N 3.981 123.789 119.950 -0.236 0.000 2.578 349 F HA -0.030 4.496 4.527 -0.002 0.000 0.376 349 F C 0.792 176.490 175.800 -0.170 0.000 1.085 349 F CA 0.452 58.278 58.000 -0.290 0.000 1.260 349 F CB 0.301 39.229 39.000 -0.121 0.000 1.095 349 F HN 0.463 nan 8.300 nan 0.000 0.573 350 I N 2.382 122.450 120.570 -0.837 0.000 3.366 350 I HA 0.103 4.272 4.170 -0.002 0.000 0.267 350 I C 0.205 175.765 176.117 -0.928 0.000 1.149 350 I CA 0.586 61.511 61.300 -0.624 0.000 1.436 350 I CB 0.160 37.939 38.000 -0.369 0.000 1.379 350 I HN 0.643 nan 8.210 nan 0.000 0.460 351 S N 0.159 115.160 115.700 -1.166 0.000 2.587 351 S HA 0.834 5.303 4.470 -0.002 0.000 0.269 351 S C -1.154 173.126 174.600 -0.533 0.000 1.154 351 S CA -0.513 57.229 58.200 -0.764 0.000 0.824 351 S CB 2.312 65.349 63.200 -0.272 0.000 1.118 351 S HN 0.268 nan 8.310 nan 0.000 0.462 352 A N 0.662 123.402 122.820 -0.133 0.000 2.513 352 A HA 0.867 5.186 4.320 -0.002 0.000 0.296 352 A C -1.239 176.399 177.584 0.091 0.000 1.052 352 A CA -0.645 51.264 52.037 -0.212 0.000 0.714 352 A CB 1.830 20.439 19.000 -0.651 0.000 1.279 352 A HN 1.059 nan 8.150 nan 0.000 0.397 353 K N 1.965 122.480 120.400 0.190 0.000 2.501 353 K HA 0.421 4.740 4.320 -0.002 0.000 0.252 353 K C -0.832 175.817 176.600 0.082 0.000 0.934 353 K CA -0.503 55.947 56.287 0.271 0.000 0.797 353 K CB 1.164 33.858 32.500 0.323 0.000 1.270 353 K HN 0.827 nan 8.250 nan 0.000 0.431 354 N N 3.792 122.327 118.700 -0.275 0.000 2.513 354 N HA 0.071 4.810 4.740 -0.002 0.000 0.268 354 N C 0.262 175.562 175.510 -0.351 0.000 1.180 354 N CA -0.193 52.373 53.050 -0.807 0.000 0.948 354 N CB 0.291 38.122 38.487 -1.094 0.000 1.083 354 N HN 0.678 nan 8.380 nan 0.000 0.455 355 F N -0.135 119.512 119.950 -0.505 0.000 2.695 355 F HA 0.322 4.847 4.527 -0.002 0.000 0.303 355 F C 0.214 175.888 175.800 -0.211 0.000 1.091 355 F CA -0.773 56.906 58.000 -0.534 0.000 1.300 355 F CB -0.115 38.251 39.000 -1.057 0.000 1.071 355 F HN 0.279 nan 8.300 nan 0.000 0.578 356 V N -4.272 115.344 119.914 -0.497 0.000 3.206 356 V HA 0.698 4.817 4.120 -0.002 0.000 0.305 356 V C -3.009 172.938 176.094 -0.245 0.000 1.257 356 V CA -2.929 59.228 62.300 -0.238 0.000 1.057 356 V CB 1.311 33.081 31.823 -0.088 0.000 1.075 356 V HN -0.263 nan 8.190 nan 0.000 0.443 357 P HA 0.447 nan 4.420 nan 0.000 0.269 357 P C -0.703 176.532 177.300 -0.108 0.000 1.209 357 P CA 0.094 63.141 63.100 -0.090 0.000 0.776 357 P CB 0.876 32.578 31.700 0.002 0.000 0.876 358 V N -0.672 119.164 119.914 -0.129 0.000 3.007 358 V HA 0.680 4.799 4.120 -0.002 0.000 0.311 358 V C -0.064 176.004 176.094 -0.043 0.000 1.120 358 V CA -0.774 61.481 62.300 -0.075 0.000 0.980 358 V CB 2.414 34.132 31.823 -0.176 0.000 1.033 358 V HN 0.571 nan 8.190 nan 0.000 0.429 359 N N 1.685 120.410 118.700 0.041 0.000 2.241 359 N HA 0.086 4.825 4.740 -0.002 0.000 0.238 359 N C 0.660 176.186 175.510 0.025 0.000 1.244 359 N CA 0.134 53.196 53.050 0.020 0.000 0.880 359 N CB 0.221 38.746 38.487 0.063 0.000 1.179 359 N HN 1.009 nan 8.380 nan 0.000 0.513 360 W N -0.321 120.900 121.300 -0.131 0.000 2.993 360 W HA 0.689 5.348 4.660 -0.002 0.000 0.290 360 W C -0.706 175.738 176.519 -0.125 0.000 1.203 360 W CA -0.064 57.128 57.345 -0.255 0.000 1.582 360 W CB -0.100 28.893 29.460 -0.779 0.000 1.033 360 W HN 0.170 nan 8.180 nan 0.000 0.594 361 A N 1.133 123.426 122.820 -0.878 0.000 2.572 361 A HA 0.476 4.795 4.320 -0.002 0.000 0.295 361 A C 0.519 177.863 177.584 -0.399 0.000 1.072 361 A CA 0.137 51.694 52.037 -0.800 0.000 0.691 361 A CB 0.992 19.036 19.000 -1.593 0.000 1.291 361 A HN 0.144 nan 8.150 nan 0.000 0.404 362 S N 0.150 115.699 115.700 -0.251 0.000 2.548 362 S HA 0.534 5.003 4.470 -0.002 0.000 0.215 362 S C 0.908 175.494 174.600 -0.024 0.000 0.976 362 S CA 0.753 58.887 58.200 -0.109 0.000 0.908 362 S CB -0.049 63.100 63.200 -0.086 0.000 0.781 362 S HN 2.524 nan 8.310 nan 0.000 0.519 363 G N -0.343 108.417 108.800 -0.066 0.000 2.356 363 G HA2 0.355 4.314 3.960 -0.002 0.000 0.288 363 G HA3 0.355 4.314 3.960 -0.002 0.000 0.288 363 G C -2.193 172.606 174.900 -0.168 0.000 1.302 363 G CA -1.022 44.125 45.100 0.078 0.000 0.887 363 G HN 0.107 nan 8.290 nan 0.000 0.521 364 Y N 1.312 121.530 120.300 -0.138 0.000 2.409 364 Y HA 0.531 5.080 4.550 -0.002 0.000 0.339 364 Y C 0.597 176.436 175.900 -0.102 0.000 1.033 364 Y CA -0.348 57.653 58.100 -0.165 0.000 1.094 364 Y CB 1.824 40.209 38.460 -0.125 0.000 1.210 364 Y HN 0.839 nan 8.280 nan 0.000 0.456 365 D N 0.661 121.022 120.400 -0.065 0.000 2.447 365 D HA 0.088 4.727 4.640 -0.002 0.000 0.265 365 D C 0.768 177.014 176.300 -0.090 0.000 1.250 365 D CA -0.543 53.415 54.000 -0.070 0.000 1.046 365 D CB 0.572 41.322 40.800 -0.085 0.000 1.095 365 D HN 0.600 nan 8.370 nan 0.000 0.555 366 K N -1.232 119.077 120.400 -0.152 0.000 2.442 366 K HA -0.143 4.176 4.320 -0.002 0.000 0.198 366 K C 0.774 177.247 176.600 -0.212 0.000 1.042 366 K CA 0.926 57.114 56.287 -0.165 0.000 0.958 366 K CB -0.303 32.049 32.500 -0.247 0.000 0.766 366 K HN 0.367 nan 8.250 nan 0.000 0.474 367 H N 0.195 119.225 119.070 -0.066 0.000 2.551 367 H HA 0.166 4.721 4.556 -0.002 0.000 0.271 367 H C 0.912 176.115 175.328 -0.208 0.000 0.984 367 H CA 0.560 56.567 56.048 -0.069 0.000 1.164 367 H CB 0.881 30.619 29.762 -0.040 0.000 1.437 367 H HN 0.562 nan 8.280 nan 0.000 0.550 368 G N 1.447 109.960 108.800 -0.480 0.000 2.160 368 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.244 368 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.244 368 G C -0.025 174.800 174.900 -0.126 0.000 1.022 368 G CA 0.046 44.486 45.100 -1.100 0.000 0.741 368 G HN 0.254 nan 8.290 nan 0.000 0.508 369 K N 0.780 121.133 120.400 -0.078 0.000 2.164 369 K HA 0.632 4.951 4.320 -0.002 0.000 0.258 369 K C -2.311 174.062 176.600 -0.378 0.000 0.951 369 K CA -2.201 54.036 56.287 -0.083 0.000 0.844 369 K CB 1.977 34.447 32.500 -0.049 0.000 1.099 369 K HN 0.016 nan 8.250 nan 0.000 0.435 370 P HA 0.145 nan 4.420 nan 0.000 0.275 370 P C -0.618 176.386 177.300 -0.493 0.000 1.228 370 P CA -0.084 62.399 63.100 -1.028 0.000 0.786 370 P CB 0.473 31.665 31.700 -0.847 0.000 0.927 371 I N 1.931 122.218 120.570 -0.473 0.000 2.287 371 I HA 0.275 4.444 4.170 -0.002 0.000 0.290 371 I C 1.274 177.239 176.117 -0.253 0.000 1.069 371 I CA -0.305 60.840 61.300 -0.258 0.000 1.237 371 I CB 0.540 38.425 38.000 -0.191 0.000 1.418 371 I HN 0.337 nan 8.210 nan 0.000 0.481 372 G N 6.807 115.520 108.800 -0.145 0.000 2.569 372 G HA2 0.474 4.433 3.960 -0.002 0.000 0.249 372 G HA3 0.474 4.433 3.960 -0.002 0.000 0.249 372 G C -0.276 174.599 174.900 -0.042 0.000 1.216 372 G CA -0.452 44.606 45.100 -0.071 0.000 0.845 372 G HN 0.541 nan 8.290 nan 0.000 0.568 373 I N 1.930 122.495 120.570 -0.007 0.000 2.312 373 I HA 0.200 4.370 4.170 -0.002 0.000 0.290 373 I C 1.517 177.692 176.117 0.097 0.000 1.008 373 I CA -0.646 60.666 61.300 0.021 0.000 1.226 373 I CB 1.730 39.729 38.000 -0.001 0.000 1.371 373 I HN 0.630 nan 8.210 nan 0.000 0.468 374 A N 5.616 128.486 122.820 0.083 0.000 1.903 374 A HA -0.266 4.053 4.320 -0.002 0.000 0.219 374 A C 2.426 180.090 177.584 0.135 0.000 1.191 374 A CA 2.308 54.408 52.037 0.105 0.000 0.638 374 A CB -0.564 18.479 19.000 0.073 0.000 0.823 374 A HN 0.848 nan 8.150 nan 0.000 0.451 375 A N -0.353 122.540 122.820 0.121 0.000 1.986 375 A HA 0.080 4.399 4.320 -0.002 0.000 0.220 375 A C 2.415 180.115 177.584 0.195 0.000 1.171 375 A CA 2.194 54.310 52.037 0.132 0.000 0.640 375 A CB -0.955 18.111 19.000 0.110 0.000 0.811 375 A HN 1.260 nan 8.150 nan 0.000 0.451 376 A N -0.884 122.090 122.820 0.256 0.000 2.121 376 A HA -0.064 4.255 4.320 -0.002 0.000 0.218 376 A C 2.054 179.970 177.584 0.553 0.000 1.154 376 A CA 1.250 53.546 52.037 0.431 0.000 0.679 376 A CB -0.285 18.967 19.000 0.419 0.000 0.795 376 A HN 0.541 nan 8.150 nan 0.000 0.458 377 R N -0.607 120.106 120.500 0.355 0.000 2.432 377 R HA 0.066 4.405 4.340 -0.002 0.000 0.260 377 R C -0.520 175.850 176.300 0.115 0.000 0.935 377 R CA -0.026 56.201 56.100 0.212 0.000 1.080 377 R CB 0.263 30.681 30.300 0.197 0.000 1.155 377 R HN 0.289 nan 8.270 nan 0.000 0.531 378 D N 0.368 120.846 120.400 0.131 0.000 2.453 378 D HA 0.056 4.695 4.640 -0.002 0.000 0.223 378 D C 0.959 177.303 176.300 0.073 0.000 1.183 378 D CA -0.089 53.964 54.000 0.088 0.000 0.933 378 D CB 0.994 41.849 40.800 0.092 0.000 1.038 378 D HN 0.227 nan 8.370 nan 0.000 0.513 379 G N 1.795 110.618 108.800 0.037 0.000 2.920 379 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.208 379 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.208 379 G C 1.357 176.284 174.900 0.044 0.000 1.159 379 G CA 0.527 45.639 45.100 0.020 0.000 0.784 379 G HN 0.485 nan 8.290 nan 0.000 0.535 380 S N -0.144 115.588 115.700 0.055 0.000 2.522 380 S HA 0.129 4.598 4.470 -0.002 0.000 0.227 380 S C 0.902 175.550 174.600 0.080 0.000 0.986 380 S CA 0.299 58.538 58.200 0.066 0.000 0.929 380 S CB -0.069 63.164 63.200 0.055 0.000 0.769 380 S HN 0.583 nan 8.310 nan 0.000 0.529 381 K N -0.469 119.980 120.400 0.083 0.000 2.512 381 K HA 0.637 4.956 4.320 -0.002 0.000 0.263 381 K C -3.645 173.013 176.600 0.097 0.000 0.966 381 K CA -2.612 53.727 56.287 0.087 0.000 0.851 381 K CB 0.643 33.188 32.500 0.074 0.000 1.395 381 K HN -0.196 nan 8.250 nan 0.000 0.440 382 P HA 0.006 nan 4.420 nan 0.000 0.266 382 P C -1.172 176.194 177.300 0.109 0.000 1.195 382 P CA 0.104 63.269 63.100 0.108 0.000 0.768 382 P CB 0.461 32.222 31.700 0.102 0.000 0.838 383 Q N 1.872 121.746 119.800 0.123 0.000 2.268 383 Q HA 0.236 4.575 4.340 -0.002 0.000 0.266 383 Q C -1.086 175.005 176.000 0.152 0.000 1.006 383 Q CA -0.676 55.210 55.803 0.138 0.000 0.824 383 Q CB 1.915 30.752 28.738 0.165 0.000 1.306 383 Q HN 0.389 nan 8.270 nan 0.000 0.424 384 D N 1.707 122.193 120.400 0.143 0.000 2.455 384 D HA 0.277 4.916 4.640 -0.002 0.000 0.241 384 D C -0.292 176.111 176.300 0.171 0.000 1.138 384 D CA 0.378 54.470 54.000 0.153 0.000 0.877 384 D CB 0.809 41.689 40.800 0.134 0.000 1.187 384 D HN 0.501 nan 8.370 nan 0.000 0.451 385 A N 2.354 125.287 122.820 0.188 0.000 2.267 385 A HA 0.522 4.841 4.320 -0.002 0.000 0.315 385 A C -0.698 177.000 177.584 0.190 0.000 1.297 385 A CA -0.631 51.522 52.037 0.194 0.000 0.865 385 A CB 0.636 19.777 19.000 0.236 0.000 1.165 385 A HN 0.307 nan 8.150 nan 0.000 0.513 386 V N 5.295 125.314 119.914 0.175 0.000 2.444 386 V HA 0.300 4.419 4.120 -0.002 0.000 0.294 386 V C -1.972 174.256 176.094 0.223 0.000 1.022 386 V CA -1.161 61.243 62.300 0.173 0.000 0.850 386 V CB 1.952 33.852 31.823 0.128 0.000 0.992 386 V HN 0.713 nan 8.190 nan 0.000 0.426 387 P HA 0.112 nan 4.420 nan 0.000 0.221 387 P C 0.852 178.307 177.300 0.258 0.000 1.150 387 P CA 1.521 64.710 63.100 0.148 0.000 0.800 387 P CB 0.144 31.863 31.700 0.032 0.000 0.787 388 G N -0.866 108.173 108.800 0.398 0.000 2.796 388 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.571 388 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.571 388 G C -2.142 172.967 174.900 0.349 0.000 1.370 388 G CA -0.348 44.955 45.100 0.337 0.000 0.856 388 G HN -0.095 nan 8.290 nan 0.000 0.538 389 P HA -0.085 nan 4.420 nan 0.000 0.216 389 P C 1.422 178.796 177.300 0.124 0.000 1.150 389 P CA 1.877 65.025 63.100 0.080 0.000 0.837 389 P CB -0.097 31.656 31.700 0.088 0.000 0.786 390 Y N -0.612 119.842 120.300 0.257 0.000 2.497 390 Y HA 0.164 4.713 4.550 -0.002 0.000 0.292 390 Y C 1.660 177.764 175.900 0.339 0.000 1.137 390 Y CA 1.050 59.335 58.100 0.309 0.000 1.285 390 Y CB -0.786 37.824 38.460 0.250 0.000 0.991 390 Y HN -0.020 nan 8.280 nan 0.000 0.556 391 G N -0.608 108.420 108.800 0.379 0.000 2.721 391 G HA2 -0.009 3.950 3.960 -0.002 0.000 0.686 391 G HA3 -0.009 3.950 3.960 -0.002 0.000 0.686 391 G C 0.658 175.680 174.900 0.203 0.000 1.236 391 G CA -0.484 44.774 45.100 0.263 0.000 0.786 391 G HN 0.490 nan 8.290 nan 0.000 0.616 392 A N 1.038 123.931 122.820 0.120 0.000 1.969 392 A HA 0.237 4.556 4.320 -0.002 0.000 0.218 392 A C 1.099 178.891 177.584 0.347 0.000 1.169 392 A CA 2.325 54.427 52.037 0.109 0.000 0.635 392 A CB -0.105 18.790 19.000 -0.176 0.000 0.810 392 A HN 1.795 nan 8.150 nan 0.000 0.445 393 H N -0.949 118.269 119.070 0.247 0.000 2.877 393 H HA 0.366 4.921 4.556 -0.002 0.000 0.347 393 H C -0.999 174.400 175.328 0.119 0.000 1.042 393 H CA -0.785 55.359 56.048 0.160 0.000 1.276 393 H CB 1.044 30.874 29.762 0.113 0.000 1.681 393 H HN 0.290 nan 8.280 nan 0.000 0.521 394 N N 3.021 121.557 118.700 -0.274 0.000 2.909 394 N HA 0.039 4.778 4.740 -0.002 0.000 0.326 394 N C 1.575 176.746 175.510 -0.565 0.000 1.368 394 N CA -0.453 52.459 53.050 -0.229 0.000 0.797 394 N CB 0.432 38.946 38.487 0.046 0.000 1.150 394 N HN 0.796 nan 8.380 nan 0.000 0.550 395 W N 1.055 122.211 121.300 -0.240 0.000 2.525 395 W HA 0.015 4.674 4.660 -0.002 0.000 0.259 395 W C -0.125 176.270 176.519 -0.207 0.000 1.253 395 W CA 0.137 57.342 57.345 -0.232 0.000 1.262 395 W CB -1.344 28.088 29.460 -0.046 0.000 1.122 395 W HN 0.274 nan 8.180 nan 0.000 0.607 396 H N 3.270 121.637 119.070 -1.171 0.000 3.192 396 H HA 0.055 4.610 4.556 -0.002 0.000 0.295 396 H C -1.950 173.314 175.328 -0.106 0.000 0.943 396 H CA -0.825 54.658 56.048 -0.942 0.000 1.416 396 H CB -0.327 28.902 29.762 -0.889 0.000 1.434 396 H HN -0.244 nan 8.280 nan 0.000 0.565 397 P HA -0.054 nan 4.420 nan 0.000 0.266 397 P C 0.566 178.003 177.300 0.227 0.000 1.195 397 P CA 0.284 63.538 63.100 0.256 0.000 0.768 397 P CB 0.557 32.434 31.700 0.295 0.000 0.838 398 M N 0.692 120.412 119.600 0.200 0.000 2.513 398 M HA 0.755 5.234 4.480 -0.002 0.000 0.291 398 M C -0.410 176.026 176.300 0.226 0.000 1.190 398 M CA -0.445 54.924 55.300 0.116 0.000 0.960 398 M CB 1.646 34.217 32.600 -0.048 0.000 1.517 398 M HN 0.282 nan 8.290 nan 0.000 0.499 399 S N -0.016 115.847 115.700 0.271 0.000 2.579 399 S HA 0.779 5.248 4.470 -0.002 0.000 0.272 399 S C -1.460 173.385 174.600 0.408 0.000 1.141 399 S CA -0.826 57.597 58.200 0.371 0.000 0.843 399 S CB 1.989 65.448 63.200 0.432 0.000 1.122 399 S HN 0.746 nan 8.310 nan 0.000 0.468 400 F N 2.423 122.497 119.950 0.206 0.000 2.518 400 F HA 0.595 5.121 4.527 -0.002 0.000 0.323 400 F C -0.765 175.068 175.800 0.054 0.000 1.129 400 F CA -1.020 57.027 58.000 0.079 0.000 0.920 400 F CB 1.657 40.671 39.000 0.023 0.000 1.160 400 F HN 0.778 nan 8.300 nan 0.000 0.440 401 N N 8.230 126.613 118.700 -0.529 0.000 2.469 401 N HA 0.327 5.066 4.740 -0.002 0.000 0.253 401 N C -2.172 172.597 175.510 -1.236 0.000 0.970 401 N CA -2.259 50.387 53.050 -0.673 0.000 0.940 401 N CB 2.185 40.682 38.487 0.016 0.000 1.128 401 N HN 0.352 nan 8.380 nan 0.000 0.503 402 P HA -0.091 nan 4.420 nan 0.000 0.226 402 P C 0.666 177.688 177.300 -0.463 0.000 1.153 402 P CA 1.089 63.623 63.100 -0.944 0.000 0.777 402 P CB 0.673 32.037 31.700 -0.560 0.000 0.794 403 Q N -0.091 119.489 119.800 -0.368 0.000 2.083 403 Q HA -0.063 4.276 4.340 -0.002 0.000 0.198 403 Q C 2.196 178.136 176.000 -0.100 0.000 0.969 403 Q CA 2.149 57.868 55.803 -0.140 0.000 0.838 403 Q CB -0.702 28.016 28.738 -0.033 0.000 0.900 403 Q HN 0.365 nan 8.270 nan 0.000 0.436 404 T N -3.583 110.910 114.554 -0.102 0.000 3.054 404 T HA 0.206 4.555 4.350 -0.002 0.000 0.259 404 T C 1.474 176.119 174.700 -0.091 0.000 1.092 404 T CA 0.611 62.695 62.100 -0.028 0.000 1.121 404 T CB 0.346 69.274 68.868 0.101 0.000 0.912 404 T HN 0.453 nan 8.240 nan 0.000 0.489 405 G N 1.286 109.963 108.800 -0.206 0.000 2.148 405 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.254 405 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.254 405 G C -0.096 174.792 174.900 -0.019 0.000 0.981 405 G CA 0.364 45.401 45.100 -0.105 0.000 0.670 405 G HN 0.651 nan 8.290 nan 0.000 0.528 406 L N -0.070 121.034 121.223 -0.199 0.000 2.344 406 L HA 0.728 5.067 4.340 -0.002 0.000 0.272 406 L C 0.406 177.008 176.870 -0.447 0.000 1.035 406 L CA -1.362 53.261 54.840 -0.362 0.000 0.807 406 L CB 1.962 43.680 42.059 -0.569 0.000 1.237 406 L HN -0.095 nan 8.230 nan 0.000 0.442 407 V N 1.787 121.442 119.914 -0.431 0.000 2.370 407 V HA 0.266 4.385 4.120 -0.002 0.000 0.283 407 V C -0.873 174.877 176.094 -0.573 0.000 1.023 407 V CA -0.476 61.665 62.300 -0.264 0.000 0.857 407 V CB 1.051 32.887 31.823 0.022 0.000 0.985 407 V HN 0.393 nan 8.190 nan 0.000 0.443 408 Y N 5.623 125.905 120.300 -0.031 0.000 2.454 408 Y HA 0.551 5.100 4.550 -0.001 0.000 0.345 408 Y C -0.093 175.742 175.900 -0.108 0.000 0.970 408 Y CA -0.520 57.508 58.100 -0.121 0.000 1.204 408 Y CB 1.151 39.597 38.460 -0.022 0.000 1.122 408 Y HN 0.495 nan 8.280 nan 0.000 0.514 409 L N 7.517 128.659 121.223 -0.135 0.000 2.319 409 L HA 0.659 4.998 4.340 -0.002 0.000 0.281 409 L C -2.940 173.804 176.870 -0.211 0.000 1.005 409 L CA -2.863 51.809 54.840 -0.279 0.000 0.828 409 L CB 1.411 43.203 42.059 -0.444 0.000 1.227 409 L HN 0.211 nan 8.230 nan 0.000 0.415 410 P HA 0.406 nan 4.420 nan 0.000 0.282 410 P C -1.243 176.065 177.300 0.013 0.000 1.274 410 P CA -0.118 62.960 63.100 -0.036 0.000 0.770 410 P CB 1.147 32.825 31.700 -0.037 0.000 0.867 411 A N 3.799 126.688 122.820 0.114 0.000 2.384 411 A HA 0.822 5.141 4.320 -0.002 0.000 0.312 411 A C -0.666 177.074 177.584 0.260 0.000 1.113 411 A CA -0.356 51.845 52.037 0.272 0.000 0.779 411 A CB 1.506 20.736 19.000 0.383 0.000 1.307 411 A HN 0.594 nan 8.150 nan 0.000 0.436 412 Q N 0.038 119.944 119.800 0.178 0.000 2.804 412 Q HA 0.508 4.847 4.340 -0.002 0.000 0.302 412 Q C -1.889 173.683 176.000 -0.714 0.000 0.885 412 Q CA -0.977 54.692 55.803 -0.224 0.000 0.759 412 Q CB 1.246 29.924 28.738 -0.099 0.000 1.465 412 Q HN 0.611 nan 8.270 nan 0.000 0.432 413 N N -0.171 117.848 118.700 -1.136 0.000 2.397 413 N HA 0.497 5.236 4.740 -0.002 0.000 0.291 413 N C -2.121 173.160 175.510 -0.381 0.000 1.065 413 N CA -0.390 52.214 53.050 -0.744 0.000 0.884 413 N CB 2.617 40.554 38.487 -0.916 0.000 1.551 413 N HN 0.481 nan 8.380 nan 0.000 0.487 414 V N 4.715 124.530 119.914 -0.165 0.000 2.349 414 V HA 0.480 4.599 4.120 -0.002 0.000 0.284 414 V C -2.136 173.971 176.094 0.022 0.000 1.014 414 V CA -1.613 60.592 62.300 -0.158 0.000 0.826 414 V CB 1.264 32.809 31.823 -0.463 0.000 1.009 414 V HN 0.658 nan 8.190 nan 0.000 0.431 415 P HA 0.185 nan 4.420 nan 0.000 0.264 415 P C -0.713 176.719 177.300 0.221 0.000 1.193 415 P CA 0.365 63.545 63.100 0.134 0.000 0.763 415 P CB 0.684 32.453 31.700 0.115 0.000 0.810 416 V N 3.371 123.443 119.914 0.262 0.000 2.888 416 V HA 0.437 4.556 4.120 -0.002 0.000 0.309 416 V C -0.397 175.852 176.094 0.257 0.000 1.114 416 V CA -0.685 61.814 62.300 0.331 0.000 0.940 416 V CB 2.538 34.625 31.823 0.440 0.000 1.021 416 V HN 0.551 nan 8.190 nan 0.000 0.426 417 N N 3.953 122.801 118.700 0.246 0.000 2.321 417 N HA 0.713 5.452 4.740 -0.002 0.000 0.299 417 N C -1.715 173.873 175.510 0.129 0.000 1.048 417 N CA -0.345 52.816 53.050 0.184 0.000 0.836 417 N CB 1.975 40.565 38.487 0.172 0.000 1.269 417 N HN 0.654 nan 8.380 nan 0.000 0.486 418 L N 2.583 123.857 121.223 0.085 0.000 2.371 418 L HA 0.642 4.981 4.340 -0.002 0.000 0.262 418 L C -0.142 176.750 176.870 0.037 0.000 1.006 418 L CA -0.895 53.931 54.840 -0.023 0.000 0.818 418 L CB 2.133 44.161 42.059 -0.052 0.000 1.354 418 L HN 0.603 nan 8.230 nan 0.000 0.415 419 M N -1.113 118.496 119.600 0.014 0.000 2.683 419 M HA 0.617 5.096 4.480 -0.002 0.000 0.274 419 M C -1.932 174.350 176.300 -0.031 0.000 1.272 419 M CA -0.871 54.462 55.300 0.054 0.000 0.833 419 M CB 2.284 34.972 32.600 0.146 0.000 1.708 419 M HN 0.183 nan 8.290 nan 0.000 0.463 420 D N 1.647 122.021 120.400 -0.043 0.000 2.304 420 D HA 0.328 4.967 4.640 -0.002 0.000 0.247 420 D C -1.224 174.943 176.300 -0.222 0.000 1.089 420 D CA 0.428 54.338 54.000 -0.151 0.000 0.910 420 D CB 1.181 41.921 40.800 -0.100 0.000 1.199 420 D HN 0.597 nan 8.370 nan 0.000 0.426 421 D N 0.834 120.970 120.400 -0.440 0.000 2.473 421 D HA 0.101 4.740 4.640 -0.002 0.000 0.226 421 D C 0.258 176.491 176.300 -0.111 0.000 1.089 421 D CA -0.411 53.275 54.000 -0.523 0.000 0.883 421 D CB 0.485 40.728 40.800 -0.928 0.000 1.029 421 D HN 0.128 nan 8.370 nan 0.000 0.517 422 K N 1.623 122.031 120.400 0.013 0.000 2.442 422 K HA -0.022 4.297 4.320 -0.002 0.000 0.198 422 K C 1.024 177.686 176.600 0.104 0.000 1.042 422 K CA 0.772 57.094 56.287 0.059 0.000 0.958 422 K CB 0.423 32.961 32.500 0.062 0.000 0.766 422 K HN 0.265 nan 8.250 nan 0.000 0.474 423 K N -0.183 120.292 120.400 0.125 0.000 2.410 423 K HA 0.011 4.330 4.320 -0.002 0.000 0.200 423 K C -0.278 176.403 176.600 0.135 0.000 1.023 423 K CA -0.406 55.953 56.287 0.120 0.000 1.149 423 K CB 0.172 32.745 32.500 0.122 0.000 0.859 423 K HN 0.132 nan 8.250 nan 0.000 0.514 424 W N 2.943 124.221 121.300 -0.036 0.000 2.181 424 W HA -0.002 4.657 4.660 -0.002 0.000 0.335 424 W C -0.514 176.007 176.519 0.003 0.000 1.310 424 W CA 0.412 57.738 57.345 -0.031 0.000 1.226 424 W CB 0.536 29.953 29.460 -0.073 0.000 1.155 424 W HN -0.040 nan 8.180 nan 0.000 0.565 425 E N 5.268 124.885 120.200 -0.972 0.000 2.272 425 E HA 0.158 4.507 4.350 -0.002 0.000 0.269 425 E C -1.379 174.349 176.600 -1.453 0.000 0.877 425 E CA -1.344 54.411 56.400 -1.075 0.000 0.755 425 E CB 1.645 31.061 29.700 -0.473 0.000 1.192 425 E HN 0.322 nan 8.360 nan 0.000 0.422 426 F N 3.811 122.872 119.950 -1.481 0.000 2.602 426 F HA -0.010 4.517 4.527 -0.001 0.000 0.385 426 F C 0.798 176.414 175.800 -0.306 0.000 1.063 426 F CA 0.125 57.704 58.000 -0.702 0.000 1.233 426 F CB -0.095 38.732 39.000 -0.288 0.000 1.067 426 F HN 0.547 nan 8.300 nan 0.000 0.564 427 N N 2.175 120.531 118.700 -0.575 0.000 2.753 427 N HA -0.225 4.514 4.740 -0.002 0.000 0.251 427 N C -0.738 174.603 175.510 -0.281 0.000 1.097 427 N CA 0.961 53.710 53.050 -0.502 0.000 0.786 427 N CB -0.910 37.105 38.487 -0.787 0.000 1.137 427 N HN 0.612 nan 8.380 nan 0.000 0.566 428 Q N 0.172 119.816 119.800 -0.259 0.000 2.456 428 Q HA 0.583 4.922 4.340 -0.002 0.000 0.234 428 Q C 0.231 176.173 176.000 -0.097 0.000 1.061 428 Q CA -0.106 55.593 55.803 -0.173 0.000 0.896 428 Q CB 0.923 29.541 28.738 -0.199 0.000 1.233 428 Q HN 0.373 nan 8.270 nan 0.000 0.506 429 A N 1.434 124.222 122.820 -0.054 0.000 2.386 429 A HA 0.789 5.108 4.320 -0.002 0.000 0.248 429 A C 0.466 178.048 177.584 -0.002 0.000 1.082 429 A CA 0.494 52.526 52.037 -0.008 0.000 0.789 429 A CB 0.649 19.650 19.000 0.002 0.000 1.025 429 A HN 0.678 nan 8.150 nan 0.000 0.490 430 G N 0.139 108.948 108.800 0.015 0.000 2.547 430 G HA2 0.547 4.506 3.960 -0.002 0.000 0.291 430 G HA3 0.547 4.506 3.960 -0.002 0.000 0.291 430 G C -3.514 171.394 174.900 0.013 0.000 1.471 430 G CA -0.923 44.186 45.100 0.014 0.000 0.798 430 G HN 0.487 nan 8.290 nan 0.000 0.504 431 P HA 0.299 nan 4.420 nan 0.000 0.266 431 P C 1.134 178.435 177.300 0.003 0.000 1.195 431 P CA 2.002 65.087 63.100 -0.024 0.000 0.768 431 P CB 1.023 32.703 31.700 -0.032 0.000 0.838 432 G N 2.069 110.854 108.800 -0.025 0.000 2.234 432 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.260 432 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.260 432 G C 0.004 175.021 174.900 0.195 0.000 0.987 432 G CA -0.115 44.999 45.100 0.024 0.000 0.625 432 G HN 0.551 nan 8.290 nan 0.000 0.532 433 K N 1.955 122.446 120.400 0.152 0.000 2.263 433 K HA 0.400 4.719 4.320 -0.002 0.000 0.282 433 K C -2.587 174.023 176.600 0.018 0.000 1.089 433 K CA -1.834 54.557 56.287 0.173 0.000 0.907 433 K CB 1.371 33.968 32.500 0.163 0.000 1.148 433 K HN 0.073 nan 8.250 nan 0.000 0.470 434 P HA -0.106 nan 4.420 nan 0.000 0.256 434 P C -0.210 176.806 177.300 -0.473 0.000 1.173 434 P CA 0.395 63.285 63.100 -0.350 0.000 0.768 434 P CB 0.535 32.042 31.700 -0.322 0.000 0.758 435 Q N 2.502 121.891 119.800 -0.686 0.000 2.468 435 Q HA -0.263 4.076 4.340 -0.002 0.000 0.256 435 Q C 1.111 176.976 176.000 -0.224 0.000 0.984 435 Q CA 1.423 56.834 55.803 -0.653 0.000 1.110 435 Q CB -2.254 25.645 28.738 -1.397 0.000 1.527 435 Q HN 0.575 nan 8.270 nan 0.000 0.535 436 S N -3.508 112.140 115.700 -0.086 0.000 2.419 436 S HA -0.056 4.413 4.470 -0.002 0.000 0.233 436 S C 1.871 176.506 174.600 0.058 0.000 1.016 436 S CA 0.890 59.124 58.200 0.057 0.000 0.974 436 S CB -0.433 62.806 63.200 0.065 0.000 0.786 436 S HN 0.612 nan 8.310 nan 0.000 0.492 437 G N 1.820 110.632 108.800 0.020 0.000 2.470 437 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.220 437 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.220 437 G C 1.335 176.270 174.900 0.058 0.000 1.121 437 G CA 1.283 46.419 45.100 0.060 0.000 0.766 437 G HN 0.751 nan 8.290 nan 0.000 0.553 438 T N -3.980 110.646 114.554 0.120 0.000 3.182 438 T HA 0.483 4.832 4.350 -0.002 0.000 0.277 438 T C 1.390 176.396 174.700 0.510 0.000 1.013 438 T CA 0.691 62.916 62.100 0.208 0.000 0.900 438 T CB 0.609 69.665 68.868 0.312 0.000 1.098 438 T HN 1.199 nan 8.240 nan 0.000 0.543 439 G N 0.425 109.455 108.800 0.383 0.000 2.184 439 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.206 439 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.206 439 G C -0.194 174.933 174.900 0.379 0.000 0.995 439 G CA -0.728 44.640 45.100 0.447 0.000 0.651 439 G HN 0.432 nan 8.290 nan 0.000 0.511 440 W N 1.016 122.250 121.300 -0.111 0.000 2.150 440 W HA 0.650 5.309 4.660 -0.001 0.000 0.341 440 W C 0.713 177.219 176.519 -0.022 0.000 1.276 440 W CA -0.172 57.002 57.345 -0.285 0.000 1.238 440 W CB 0.378 29.666 29.460 -0.286 0.000 1.128 440 W HN 0.015 nan 8.180 nan 0.000 0.581 441 N N 0.979 119.798 118.700 0.198 0.000 2.673 441 N HA -0.024 4.715 4.740 -0.002 0.000 0.265 441 N C 0.721 176.126 175.510 -0.175 0.000 1.709 441 N CA 0.179 53.402 53.050 0.288 0.000 0.792 441 N CB 0.787 39.657 38.487 0.639 0.000 1.286 441 N HN 0.472 nan 8.380 nan 0.000 0.506 442 T N -2.636 111.724 114.554 -0.322 0.000 3.023 442 T HA 0.102 4.451 4.350 -0.002 0.000 0.266 442 T C 1.184 175.471 174.700 -0.688 0.000 1.093 442 T CA 0.861 62.521 62.100 -0.734 0.000 1.129 442 T CB 0.112 68.343 68.868 -1.063 0.000 0.899 442 T HN 0.328 nan 8.240 nan 0.000 0.491 443 A N 0.409 122.784 122.820 -0.741 0.000 2.872 443 A HA -0.131 4.188 4.320 -0.002 0.000 0.273 443 A C 0.333 177.612 177.584 -0.507 0.000 1.442 443 A CA 1.011 52.607 52.037 -0.734 0.000 0.801 443 A CB -2.024 16.369 19.000 -1.012 0.000 1.031 443 A HN 0.533 nan 8.150 nan 0.000 0.582 444 K N -1.389 118.738 120.400 -0.456 0.000 2.400 444 K HA 0.832 5.151 4.320 -0.002 0.000 0.246 444 K C -0.631 175.741 176.600 -0.380 0.000 0.995 444 K CA -0.450 55.577 56.287 -0.433 0.000 0.840 444 K CB 1.341 33.563 32.500 -0.464 0.000 1.293 444 K HN 0.252 nan 8.250 nan 0.000 0.445 445 F N 0.703 120.621 119.950 -0.053 0.000 2.508 445 F HA 0.452 4.978 4.527 -0.002 0.000 0.325 445 F C -0.171 175.658 175.800 0.049 0.000 1.090 445 F CA -1.066 56.988 58.000 0.090 0.000 0.945 445 F CB 1.219 40.258 39.000 0.065 0.000 1.156 445 F HN 0.230 nan 8.300 nan 0.000 0.463 446 F N 1.773 121.896 119.950 0.288 0.000 2.443 446 F HA 0.339 4.865 4.527 -0.002 0.000 0.335 446 F C 0.406 176.330 175.800 0.205 0.000 1.104 446 F CA -1.415 56.736 58.000 0.251 0.000 1.013 446 F CB 1.019 40.198 39.000 0.299 0.000 1.136 446 F HN 0.442 nan 8.300 nan 0.000 0.470 447 N N 0.991 119.899 118.700 0.346 0.000 2.716 447 N HA -0.233 4.506 4.740 -0.002 0.000 0.250 447 N C 0.951 176.570 175.510 0.182 0.000 1.033 447 N CA 0.767 53.968 53.050 0.252 0.000 0.727 447 N CB -1.030 37.619 38.487 0.269 0.000 0.950 447 N HN 0.768 nan 8.380 nan 0.000 0.541 448 A N -0.797 122.119 122.820 0.159 0.000 2.019 448 A HA -0.124 4.195 4.320 -0.002 0.000 0.219 448 A C 0.917 178.550 177.584 0.081 0.000 1.164 448 A CA 1.295 53.387 52.037 0.091 0.000 0.644 448 A CB 0.227 19.271 19.000 0.073 0.000 0.805 448 A HN 0.300 nan 8.150 nan 0.000 0.449 449 E N -0.814 119.447 120.200 0.102 0.000 2.256 449 E HA 0.420 4.769 4.350 -0.002 0.000 0.267 449 E C -2.960 173.707 176.600 0.112 0.000 0.892 449 E CA -2.549 53.907 56.400 0.092 0.000 0.775 449 E CB 1.182 30.933 29.700 0.085 0.000 1.207 449 E HN -0.020 nan 8.360 nan 0.000 0.420 450 P HA 0.118 nan 4.420 nan 0.000 0.271 450 P C -2.340 175.031 177.300 0.118 0.000 1.216 450 P CA -0.900 62.268 63.100 0.114 0.000 0.771 450 P CB -0.106 31.651 31.700 0.094 0.000 0.864 451 P HA 0.138 nan 4.420 nan 0.000 0.274 451 P C -0.042 177.326 177.300 0.114 0.000 1.231 451 P CA -0.051 63.129 63.100 0.134 0.000 0.790 451 P CB 1.276 33.072 31.700 0.159 0.000 0.951 452 K N 0.046 120.510 120.400 0.106 0.000 2.352 452 K HA 0.083 4.402 4.320 -0.002 0.000 0.194 452 K C 1.148 177.806 176.600 0.096 0.000 1.038 452 K CA 0.178 56.521 56.287 0.093 0.000 1.023 452 K CB 0.103 32.653 32.500 0.083 0.000 0.840 452 K HN 0.539 nan 8.250 nan 0.000 0.519 453 S N 1.312 117.076 115.700 0.107 0.000 2.600 453 S HA 0.199 4.668 4.470 -0.002 0.000 0.265 453 S C -0.179 174.490 174.600 0.115 0.000 1.325 453 S CA -0.629 57.640 58.200 0.114 0.000 1.002 453 S CB 0.892 64.166 63.200 0.124 0.000 0.921 453 S HN -0.012 nan 8.310 nan 0.000 0.554 454 K N 1.605 122.086 120.400 0.136 0.000 2.123 454 K HA 0.528 4.847 4.320 -0.002 0.000 0.259 454 K C -2.528 174.158 176.600 0.143 0.000 0.960 454 K CA -2.202 54.166 56.287 0.136 0.000 0.872 454 K CB 0.887 33.474 32.500 0.145 0.000 1.079 454 K HN 0.501 nan 8.250 nan 0.000 0.440 455 P HA 0.152 nan 4.420 nan 0.000 0.274 455 P C -1.050 176.319 177.300 0.114 0.000 1.231 455 P CA -0.194 62.915 63.100 0.015 0.000 0.790 455 P CB 0.341 32.060 31.700 0.032 0.000 0.951 456 F N -1.915 118.067 119.950 0.054 0.000 2.713 456 F HA 0.792 5.318 4.527 -0.002 0.000 0.311 456 F C -1.124 174.716 175.800 0.067 0.000 1.141 456 F CA -1.140 56.895 58.000 0.059 0.000 0.939 456 F CB 0.988 40.018 39.000 0.049 0.000 1.325 456 F HN 0.492 nan 8.300 nan 0.000 0.453 457 G N 1.034 110.078 108.800 0.407 0.000 2.701 457 G HA2 0.730 4.689 3.960 -0.002 0.000 0.300 457 G HA3 0.730 4.689 3.960 -0.002 0.000 0.300 457 G C -2.037 173.074 174.900 0.353 0.000 1.410 457 G CA -1.186 44.118 45.100 0.340 0.000 1.014 457 G HN 1.113 nan 8.290 nan 0.000 0.509 458 R N 0.547 121.224 120.500 0.294 0.000 2.663 458 R HA 0.609 4.948 4.340 -0.002 0.000 0.267 458 R C -2.114 174.216 176.300 0.050 0.000 1.038 458 R CA -1.073 55.054 56.100 0.044 0.000 0.886 458 R CB 1.569 31.884 30.300 0.025 0.000 1.249 458 R HN 0.563 nan 8.270 nan 0.000 0.463 459 L N 2.636 123.800 121.223 -0.098 0.000 2.265 459 L HA 0.456 4.795 4.340 -0.002 0.000 0.289 459 L C -1.258 175.572 176.870 -0.067 0.000 1.033 459 L CA -0.461 54.373 54.840 -0.010 0.000 0.814 459 L CB 1.051 43.116 42.059 0.010 0.000 1.203 459 L HN 0.612 nan 8.230 nan 0.000 0.423 460 L N 5.128 126.281 121.223 -0.116 0.000 2.325 460 L HA 0.717 5.056 4.340 -0.002 0.000 0.279 460 L C 0.252 176.838 176.870 -0.474 0.000 1.054 460 L CA -0.703 54.016 54.840 -0.201 0.000 0.804 460 L CB 1.584 43.607 42.059 -0.059 0.000 1.200 460 L HN 0.767 nan 8.230 nan 0.000 0.436 461 A N 3.826 126.146 122.820 -0.833 0.000 2.322 461 A HA 0.260 4.579 4.320 -0.002 0.000 0.327 461 A C -0.957 176.245 177.584 -0.636 0.000 1.394 461 A CA -0.459 50.916 52.037 -1.104 0.000 0.921 461 A CB 0.199 17.998 19.000 -2.001 0.000 1.153 461 A HN 0.772 nan 8.150 nan 0.000 0.523 462 W N 3.310 124.192 121.300 -0.698 0.000 2.351 462 W HA 0.289 4.948 4.660 -0.002 0.000 0.311 462 W C -1.134 175.028 176.519 -0.594 0.000 1.168 462 W CA -0.205 56.767 57.345 -0.621 0.000 1.200 462 W CB 1.257 30.275 29.460 -0.738 0.000 1.221 462 W HN 0.654 nan 8.180 nan 0.000 0.519 463 D N 8.198 128.041 120.400 -0.929 0.000 2.396 463 D HA 0.132 4.771 4.640 -0.002 0.000 0.225 463 D C -1.297 174.591 176.300 -0.687 0.000 1.121 463 D CA -2.253 51.366 54.000 -0.635 0.000 0.853 463 D CB 1.791 42.265 40.800 -0.544 0.000 1.043 463 D HN 0.137 nan 8.370 nan 0.000 0.500 464 P HA -0.094 nan 4.420 nan 0.000 0.225 464 P C 1.365 178.564 177.300 -0.168 0.000 1.156 464 P CA 0.260 63.203 63.100 -0.261 0.000 0.787 464 P CB 0.728 32.360 31.700 -0.113 0.000 0.802 465 V N 0.997 120.801 119.914 -0.183 0.000 2.302 465 V HA -0.057 4.062 4.120 -0.002 0.000 0.243 465 V C 2.760 178.753 176.094 -0.169 0.000 1.036 465 V CA 2.158 64.372 62.300 -0.143 0.000 1.020 465 V CB -1.549 30.203 31.823 -0.118 0.000 0.657 465 V HN 0.076 nan 8.190 nan 0.000 0.453 466 A N -1.695 120.986 122.820 -0.232 0.000 2.167 466 A HA -0.020 4.299 4.320 -0.002 0.000 0.214 466 A C 1.082 178.492 177.584 -0.291 0.000 1.151 466 A CA 0.233 52.126 52.037 -0.241 0.000 0.735 466 A CB -0.205 18.636 19.000 -0.264 0.000 0.802 466 A HN 0.557 nan 8.150 nan 0.000 0.467 467 Q N -0.933 118.645 119.800 -0.369 0.000 2.453 467 Q HA -0.192 4.147 4.340 -0.002 0.000 0.330 467 Q C -0.368 175.279 176.000 -0.589 0.000 1.417 467 Q CA 1.712 57.335 55.803 -0.300 0.000 0.902 467 Q CB -1.616 27.122 28.738 0.000 0.000 1.154 467 Q HN 1.004 nan 8.270 nan 0.000 0.395 468 K N -2.722 116.878 120.400 -1.334 0.000 2.607 468 K HA 0.781 5.100 4.320 -0.002 0.000 0.287 468 K C -1.218 174.399 176.600 -1.638 0.000 0.996 468 K CA -0.410 55.061 56.287 -1.360 0.000 0.876 468 K CB 1.134 33.275 32.500 -0.597 0.000 1.496 468 K HN 0.070 nan 8.250 nan 0.000 0.415 469 A N 0.782 123.001 122.820 -1.002 0.000 2.362 469 A HA 0.558 4.877 4.320 -0.002 0.000 0.276 469 A C 0.908 178.276 177.584 -0.360 0.000 1.153 469 A CA 0.076 51.810 52.037 -0.505 0.000 0.813 469 A CB 0.528 19.469 19.000 -0.099 0.000 1.081 469 A HN 0.881 nan 8.150 nan 0.000 0.507 470 A N 3.666 126.276 122.820 -0.351 0.000 1.935 470 A HA 0.361 4.680 4.320 -0.002 0.000 0.214 470 A C 0.744 178.365 177.584 0.062 0.000 1.178 470 A CA 1.100 53.033 52.037 -0.174 0.000 0.640 470 A CB -0.103 18.790 19.000 -0.178 0.000 0.825 470 A HN 1.319 nan 8.150 nan 0.000 0.447 471 W N -3.676 117.574 121.300 -0.084 0.000 3.005 471 W HA 0.666 5.325 4.660 -0.002 0.000 0.343 471 W C -1.227 175.261 176.519 -0.052 0.000 1.243 471 W CA -0.156 57.153 57.345 -0.060 0.000 1.186 471 W CB 0.563 30.001 29.460 -0.037 0.000 1.453 471 W HN 0.128 nan 8.180 nan 0.000 0.575 472 S N 0.828 116.783 115.700 0.424 0.000 2.543 472 S HA 0.614 5.083 4.470 -0.002 0.000 0.271 472 S C -1.972 172.739 174.600 0.184 0.000 1.148 472 S CA -0.385 57.955 58.200 0.233 0.000 0.914 472 S CB 1.733 64.972 63.200 0.066 0.000 1.096 472 S HN 0.442 nan 8.310 nan 0.000 0.471 473 V N 3.928 123.887 119.914 0.075 0.000 2.409 473 V HA 0.492 4.611 4.120 -0.002 0.000 0.291 473 V C -0.090 175.831 176.094 -0.289 0.000 1.020 473 V CA -0.681 61.544 62.300 -0.125 0.000 0.848 473 V CB 1.446 33.099 31.823 -0.285 0.000 0.990 473 V HN 0.906 nan 8.190 nan 0.000 0.430 474 E N 4.058 124.147 120.200 -0.185 0.000 2.289 474 E HA 0.339 4.688 4.350 -0.002 0.000 0.278 474 E C -0.440 176.078 176.600 -0.136 0.000 1.032 474 E CA -0.058 56.254 56.400 -0.147 0.000 0.854 474 E CB 0.469 30.145 29.700 -0.039 0.000 1.046 474 E HN 0.648 nan 8.360 nan 0.000 0.409 475 H N 2.046 121.176 119.070 0.101 0.000 2.630 475 H HA 0.189 4.744 4.556 -0.002 0.000 0.343 475 H C 0.950 176.337 175.328 0.099 0.000 1.232 475 H CA -0.147 55.962 56.048 0.101 0.000 1.294 475 H CB 1.343 31.170 29.762 0.107 0.000 1.746 475 H HN 0.399 nan 8.280 nan 0.000 0.593 476 V N -1.707 118.346 119.914 0.232 0.000 3.235 476 V HA 0.134 4.253 4.120 -0.002 0.000 0.259 476 V C 0.794 176.975 176.094 0.145 0.000 1.133 476 V CA 0.913 63.303 62.300 0.150 0.000 1.128 476 V CB 0.130 32.012 31.823 0.099 0.000 0.757 476 V HN 0.432 nan 8.190 nan 0.000 0.469 477 S N 0.390 116.188 115.700 0.164 0.000 2.588 477 S HA 0.719 5.188 4.470 -0.002 0.000 0.275 477 S C -3.027 171.654 174.600 0.135 0.000 1.130 477 S CA -1.356 56.932 58.200 0.147 0.000 0.855 477 S CB 2.250 65.539 63.200 0.147 0.000 1.116 477 S HN 0.232 nan 8.310 nan 0.000 0.472 478 P HA 0.176 nan 4.420 nan 0.000 0.279 478 P C -0.149 177.183 177.300 0.055 0.000 1.282 478 P CA 0.024 63.095 63.100 -0.049 0.000 0.788 478 P CB 0.106 31.638 31.700 -0.280 0.000 1.139 479 W N -0.670 120.464 121.300 -0.278 0.000 4.543 479 W HA -0.160 4.499 4.660 -0.001 0.000 0.375 479 W C -0.943 175.535 176.519 -0.068 0.000 1.434 479 W CA 0.108 57.305 57.345 -0.246 0.000 0.818 479 W CB -1.786 27.568 29.460 -0.176 0.000 2.575 479 W HN 0.405 nan 8.180 nan 0.000 1.345 480 N N 0.735 119.350 118.700 -0.141 0.000 2.408 480 N HA 0.434 5.173 4.740 -0.002 0.000 0.260 480 N C 0.820 176.148 175.510 -0.304 0.000 1.242 480 N CA 0.511 53.496 53.050 -0.109 0.000 0.959 480 N CB 0.573 38.988 38.487 -0.121 0.000 1.201 480 N HN 0.118 nan 8.380 nan 0.000 0.511 481 G N -1.391 107.367 108.800 -0.070 0.000 2.588 481 G HA2 0.440 4.399 3.960 -0.002 0.000 0.281 481 G HA3 0.440 4.399 3.960 -0.002 0.000 0.281 481 G C 0.284 175.196 174.900 0.020 0.000 1.236 481 G CA -0.510 44.593 45.100 0.005 0.000 0.969 481 G HN 0.473 nan 8.290 nan 0.000 0.504 482 G N -1.256 107.597 108.800 0.088 0.000 2.634 482 G HA2 0.486 4.445 3.960 -0.002 0.000 0.255 482 G HA3 0.486 4.445 3.960 -0.002 0.000 0.255 482 G C 0.346 175.354 174.900 0.181 0.000 1.205 482 G CA 0.586 45.765 45.100 0.133 0.000 0.884 482 G HN 0.974 nan 8.290 nan 0.000 0.549 483 T N -2.413 112.267 114.554 0.211 0.000 2.942 483 T HA 0.662 5.011 4.350 -0.002 0.000 0.289 483 T C -0.769 174.102 174.700 0.285 0.000 1.044 483 T CA -0.815 61.433 62.100 0.247 0.000 1.023 483 T CB 1.833 70.857 68.868 0.261 0.000 1.123 483 T HN 0.839 nan 8.240 nan 0.000 0.512 484 L N 0.537 121.937 121.223 0.296 0.000 2.431 484 L HA 0.826 5.165 4.340 -0.002 0.000 0.266 484 L C -0.586 176.477 176.870 0.323 0.000 0.978 484 L CA -0.068 54.966 54.840 0.323 0.000 0.822 484 L CB 2.303 44.492 42.059 0.217 0.000 1.310 484 L HN 1.071 nan 8.230 nan 0.000 0.409 485 T N 1.986 116.754 114.554 0.357 0.000 2.906 485 T HA 0.892 5.241 4.350 -0.002 0.000 0.295 485 T C -0.811 174.083 174.700 0.324 0.000 1.075 485 T CA 0.387 62.651 62.100 0.274 0.000 1.005 485 T CB 1.384 70.399 68.868 0.246 0.000 1.136 485 T HN 1.066 nan 8.240 nan 0.000 0.498 486 T N -0.443 114.246 114.554 0.226 0.000 2.841 486 T HA 0.689 5.038 4.350 -0.002 0.000 0.296 486 T C 1.127 175.905 174.700 0.130 0.000 1.166 486 T CA -0.139 62.008 62.100 0.078 0.000 1.007 486 T CB 1.022 69.927 68.868 0.061 0.000 1.253 486 T HN 0.697 nan 8.240 nan 0.000 0.511 487 A N -0.055 122.757 122.820 -0.014 0.000 2.248 487 A HA 0.338 4.657 4.320 -0.002 0.000 0.210 487 A C 1.991 179.601 177.584 0.043 0.000 1.174 487 A CA 1.091 53.186 52.037 0.097 0.000 0.750 487 A CB -1.223 17.792 19.000 0.026 0.000 0.780 487 A HN 1.228 nan 8.150 nan 0.000 0.478 488 G N -1.100 107.705 108.800 0.008 0.000 3.026 488 G HA2 0.139 4.098 3.960 -0.002 0.000 0.208 488 G HA3 0.139 4.098 3.960 -0.002 0.000 0.208 488 G C 0.493 175.343 174.900 -0.085 0.000 1.169 488 G CA 0.317 45.402 45.100 -0.026 0.000 0.788 488 G HN 0.415 nan 8.290 nan 0.000 0.533 489 N N -1.187 117.471 118.700 -0.071 0.000 2.754 489 N HA -0.165 4.574 4.740 -0.002 0.000 0.248 489 N C -0.059 175.237 175.510 -0.356 0.000 1.093 489 N CA 1.116 54.054 53.050 -0.187 0.000 0.699 489 N CB -1.510 36.828 38.487 -0.247 0.000 1.016 489 N HN 0.647 nan 8.380 nan 0.000 0.552 490 V N -3.984 115.792 119.914 -0.231 0.000 3.001 490 V HA 0.912 5.031 4.120 -0.002 0.000 0.314 490 V C 0.261 176.191 176.094 -0.273 0.000 1.099 490 V CA -0.874 61.227 62.300 -0.332 0.000 0.989 490 V CB 2.870 34.441 31.823 -0.420 0.000 1.040 490 V HN -0.162 nan 8.190 nan 0.000 0.434 491 V N 2.718 122.426 119.914 -0.343 0.000 2.531 491 V HA 0.583 4.702 4.120 -0.002 0.000 0.301 491 V C -0.970 175.006 176.094 -0.197 0.000 1.034 491 V CA -0.175 61.991 62.300 -0.223 0.000 0.865 491 V CB 1.498 33.150 31.823 -0.284 0.000 0.995 491 V HN 0.785 nan 8.190 nan 0.000 0.424 492 F N 3.110 123.082 119.950 0.037 0.000 2.443 492 F HA 0.716 5.241 4.527 -0.002 0.000 0.335 492 F C 0.219 176.088 175.800 0.116 0.000 1.104 492 F CA -0.211 57.808 58.000 0.032 0.000 1.013 492 F CB 1.730 40.711 39.000 -0.033 0.000 1.136 492 F HN 0.410 nan 8.300 nan 0.000 0.470 493 Q N 1.758 121.748 119.800 0.317 0.000 2.327 493 Q HA 0.480 4.819 4.340 -0.002 0.000 0.265 493 Q C -0.914 175.202 176.000 0.192 0.000 0.993 493 Q CA -0.652 55.314 55.803 0.272 0.000 0.885 493 Q CB 2.194 31.131 28.738 0.331 0.000 1.379 493 Q HN 0.898 nan 8.270 nan 0.000 0.408 494 G N 1.294 110.180 108.800 0.143 0.000 2.476 494 G HA2 0.522 4.481 3.960 -0.002 0.000 0.286 494 G HA3 0.522 4.481 3.960 -0.002 0.000 0.286 494 G C -0.189 174.735 174.900 0.040 0.000 1.177 494 G CA 0.027 45.182 45.100 0.092 0.000 0.870 494 G HN 0.595 nan 8.290 nan 0.000 0.528 495 T N -1.999 112.549 114.554 -0.011 0.000 2.940 495 T HA 0.574 4.923 4.350 -0.002 0.000 0.288 495 T C 1.405 176.099 174.700 -0.010 0.000 1.033 495 T CA 0.148 62.187 62.100 -0.103 0.000 1.033 495 T CB 1.842 70.604 68.868 -0.176 0.000 1.079 495 T HN 0.802 nan 8.240 nan 0.000 0.496 496 A N 1.298 124.119 122.820 0.002 0.000 1.972 496 A HA -0.047 4.272 4.320 -0.002 0.000 0.219 496 A C 1.721 179.159 177.584 -0.243 0.000 1.169 496 A CA 1.655 53.661 52.037 -0.051 0.000 0.635 496 A CB -0.960 18.104 19.000 0.107 0.000 0.810 496 A HN 0.965 nan 8.150 nan 0.000 0.446 497 D N -1.859 118.462 120.400 -0.132 0.000 2.319 497 D HA 0.308 4.947 4.640 -0.002 0.000 0.230 497 D C 0.928 177.165 176.300 -0.105 0.000 1.094 497 D CA 0.617 54.543 54.000 -0.123 0.000 0.856 497 D CB -0.739 40.024 40.800 -0.060 0.000 0.915 497 D HN 0.802 nan 8.370 nan 0.000 0.517 498 G N 0.041 108.783 108.800 -0.097 0.000 2.207 498 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.216 498 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.216 498 G C -0.117 174.745 174.900 -0.063 0.000 1.053 498 G CA -0.443 44.616 45.100 -0.070 0.000 0.764 498 G HN 0.471 nan 8.290 nan 0.000 0.495 499 R N -1.354 119.112 120.500 -0.058 0.000 2.771 499 R HA 0.732 5.071 4.340 -0.002 0.000 0.274 499 R C -0.979 175.280 176.300 -0.068 0.000 0.987 499 R CA -1.050 55.003 56.100 -0.077 0.000 0.908 499 R CB 1.868 32.124 30.300 -0.072 0.000 1.213 499 R HN 0.245 nan 8.270 nan 0.000 0.468 500 L N 1.988 123.141 121.223 -0.117 0.000 2.307 500 L HA 0.584 4.923 4.340 -0.002 0.000 0.284 500 L C -1.271 175.506 176.870 -0.155 0.000 1.023 500 L CA -0.378 54.403 54.840 -0.099 0.000 0.810 500 L CB 1.866 43.834 42.059 -0.152 0.000 1.231 500 L HN 0.352 nan 8.230 nan 0.000 0.423 501 V N 3.903 123.749 119.914 -0.114 0.000 2.823 501 V HA 0.898 5.017 4.120 -0.002 0.000 0.312 501 V C -0.209 175.617 176.094 -0.447 0.000 1.072 501 V CA -0.496 61.613 62.300 -0.319 0.000 0.937 501 V CB 1.598 33.191 31.823 -0.383 0.000 1.013 501 V HN 0.969 nan 8.190 nan 0.000 0.430 502 A N 3.055 125.461 122.820 -0.690 0.000 2.342 502 A HA 0.906 5.225 4.320 -0.002 0.000 0.323 502 A C -1.520 175.549 177.584 -0.859 0.000 1.125 502 A CA -0.403 51.102 52.037 -0.887 0.000 0.785 502 A CB 0.807 19.186 19.000 -1.035 0.000 1.221 502 A HN 0.728 nan 8.150 nan 0.000 0.463 503 Y N 0.469 120.552 120.300 -0.361 0.000 2.524 503 Y HA 0.370 4.919 4.550 -0.002 0.000 0.344 503 Y C 0.670 176.390 175.900 -0.300 0.000 1.012 503 Y CA -0.654 57.277 58.100 -0.283 0.000 1.068 503 Y CB 1.183 39.504 38.460 -0.231 0.000 1.249 503 Y HN 0.739 nan 8.280 nan 0.000 0.468 504 H N 1.507 120.480 119.070 -0.162 0.000 2.886 504 H HA 0.147 4.702 4.556 -0.002 0.000 0.329 504 H C 0.626 175.899 175.328 -0.091 0.000 1.044 504 H CA 0.558 56.511 56.048 -0.159 0.000 1.456 504 H CB 1.594 31.249 29.762 -0.178 0.000 1.464 504 H HN 0.984 nan 8.280 nan 0.000 0.573 505 A N 4.627 127.381 122.820 -0.110 0.000 2.019 505 A HA -0.098 4.221 4.320 -0.002 0.000 0.219 505 A C 2.253 180.198 177.584 0.601 0.000 1.164 505 A CA 1.484 53.633 52.037 0.186 0.000 0.644 505 A CB -0.366 18.656 19.000 0.037 0.000 0.805 505 A HN 0.762 nan 8.150 nan 0.000 0.449 506 A N -1.090 122.080 122.820 0.583 0.000 2.030 506 A HA 0.144 4.463 4.320 -0.002 0.000 0.215 506 A C 2.145 179.866 177.584 0.228 0.000 1.164 506 A CA 1.924 54.219 52.037 0.431 0.000 0.697 506 A CB -0.381 18.777 19.000 0.263 0.000 0.827 506 A HN 0.728 nan 8.150 nan 0.000 0.457 507 T N -6.468 108.011 114.554 -0.125 0.000 2.958 507 T HA 0.426 4.776 4.350 -0.002 0.000 0.256 507 T C 1.420 175.414 174.700 -1.177 0.000 0.983 507 T CA 1.128 62.931 62.100 -0.495 0.000 0.924 507 T CB 0.416 69.060 68.868 -0.373 0.000 1.136 507 T HN 1.630 nan 8.240 nan 0.000 0.506 508 G N 1.718 109.522 108.800 -1.660 0.000 2.179 508 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.260 508 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.260 508 G C -0.135 174.352 174.900 -0.689 0.000 0.977 508 G CA 0.299 44.178 45.100 -2.034 0.000 0.641 508 G HN 0.918 nan 8.290 nan 0.000 0.533 509 E N 0.824 120.788 120.200 -0.393 0.000 2.414 509 E HA 0.272 4.621 4.350 -0.002 0.000 0.263 509 E C 0.586 177.159 176.600 -0.046 0.000 1.000 509 E CA -0.214 56.084 56.400 -0.169 0.000 0.914 509 E CB 0.274 29.883 29.700 -0.152 0.000 0.948 509 E HN 0.357 nan 8.360 nan 0.000 0.444 510 K N 5.234 125.627 120.400 -0.012 0.000 2.349 510 K HA 0.171 4.490 4.320 -0.002 0.000 0.288 510 K C -0.532 175.956 176.600 -0.187 0.000 1.058 510 K CA -0.276 55.927 56.287 -0.139 0.000 0.953 510 K CB 0.403 32.841 32.500 -0.105 0.000 0.997 510 K HN 0.456 nan 8.250 nan 0.000 0.477 514 A N 1.522 124.213 122.820 -0.214 0.000 2.515 514 A HA 0.808 5.127 4.320 -0.002 0.000 0.298 514 A C -2.806 174.706 177.584 -0.119 0.000 1.059 514 A CA -1.550 50.405 52.037 -0.138 0.000 0.698 514 A CB 1.710 20.642 19.000 -0.114 0.000 1.289 514 A HN 0.476 nan 8.150 nan 0.000 0.404 515 P HA 0.243 nan 4.420 nan 0.000 0.275 515 P C 0.399 177.595 177.300 -0.174 0.000 1.228 515 P CA 0.150 63.196 63.100 -0.090 0.000 0.786 515 P CB 1.134 32.806 31.700 -0.045 0.000 0.927 516 T N -2.610 111.831 114.554 -0.188 0.000 3.040 516 T HA 0.374 4.723 4.350 -0.002 0.000 0.266 516 T C 1.226 175.898 174.700 -0.046 0.000 1.005 516 T CA 0.531 62.436 62.100 -0.326 0.000 0.906 516 T CB -0.198 68.517 68.868 -0.255 0.000 1.082 516 T HN 0.581 nan 8.240 nan 0.000 0.531 517 G N 1.623 110.414 108.800 -0.014 0.000 5.045 517 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.229 517 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.229 517 G C 0.404 175.319 174.900 0.024 0.000 1.440 517 G CA 0.502 45.625 45.100 0.039 0.000 0.936 517 G HN 1.189 nan 8.290 nan 0.000 0.690 518 T N 0.992 115.589 114.554 0.071 0.000 2.934 518 T HA 0.644 4.993 4.350 -0.002 0.000 0.283 518 T C 1.004 175.733 174.700 0.050 0.000 1.005 518 T CA 0.877 63.014 62.100 0.061 0.000 1.041 518 T CB 1.190 70.162 68.868 0.174 0.000 1.042 518 T HN 1.730 nan 8.240 nan 0.000 0.505 519 G N 1.196 109.956 108.800 -0.066 0.000 2.491 519 G HA2 0.463 4.422 3.960 -0.002 0.000 0.238 519 G HA3 0.463 4.422 3.960 -0.002 0.000 0.238 519 G C -0.572 174.580 174.900 0.421 0.000 1.277 519 G CA -0.460 44.616 45.100 -0.041 0.000 0.851 519 G HN 0.834 nan 8.290 nan 0.000 0.573 520 V N 2.163 122.309 119.914 0.386 0.000 2.459 520 V HA 0.331 4.450 4.120 -0.002 0.000 0.295 520 V C 1.046 177.413 176.094 0.455 0.000 1.029 520 V CA -0.222 62.312 62.300 0.390 0.000 0.874 520 V CB 1.351 33.312 31.823 0.230 0.000 0.985 520 V HN 0.818 nan 8.190 nan 0.000 0.438 521 V N 1.379 121.574 119.914 0.467 0.000 3.359 521 V HA 0.552 4.672 4.120 -0.002 0.000 0.245 521 V C 1.007 177.369 176.094 0.448 0.000 1.247 521 V CA 0.578 63.146 62.300 0.446 0.000 1.145 521 V CB -0.022 32.145 31.823 0.573 0.000 0.906 521 V HN 0.767 nan 8.190 nan 0.000 0.464 522 A N 1.220 124.316 122.820 0.461 0.000 2.386 522 A HA 0.796 5.115 4.320 -0.002 0.000 0.248 522 A C 0.525 178.289 177.584 0.299 0.000 1.082 522 A CA 0.349 52.648 52.037 0.438 0.000 0.789 522 A CB 0.232 19.430 19.000 0.331 0.000 1.025 522 A HN 1.226 nan 8.150 nan 0.000 0.490 523 A N 2.548 125.542 122.820 0.290 0.000 2.340 523 A HA 0.681 5.000 4.320 -0.002 0.000 0.268 523 A C -2.502 175.166 177.584 0.140 0.000 1.100 523 A CA -1.483 50.686 52.037 0.219 0.000 0.803 523 A CB -0.166 18.987 19.000 0.255 0.000 1.043 523 A HN 0.609 nan 8.150 nan 0.000 0.488 524 P HA 0.376 nan 4.420 nan 0.000 0.276 524 P C -0.360 176.764 177.300 -0.293 0.000 1.252 524 P CA -0.273 62.780 63.100 -0.078 0.000 0.802 524 P CB 1.221 32.850 31.700 -0.120 0.000 1.035 525 S N -1.076 114.326 115.700 -0.498 0.000 2.671 525 S HA 0.843 5.312 4.470 -0.002 0.000 0.299 525 S C -0.742 173.473 174.600 -0.641 0.000 1.116 525 S CA -0.592 56.928 58.200 -1.133 0.000 0.912 525 S CB 1.573 63.814 63.200 -1.599 0.000 1.130 525 S HN 0.494 nan 8.310 nan 0.000 0.501 526 T N 0.488 114.706 114.554 -0.559 0.000 2.894 526 T HA 0.751 5.100 4.350 -0.002 0.000 0.309 526 T C -2.101 172.688 174.700 0.148 0.000 1.208 526 T CA -0.584 61.381 62.100 -0.224 0.000 1.016 526 T CB 1.038 69.764 68.868 -0.237 0.000 1.192 526 T HN 1.145 nan 8.240 nan 0.000 0.491 527 Y N 0.386 120.740 120.300 0.090 0.000 2.741 527 Y HA 0.747 5.296 4.550 -0.002 0.000 0.339 527 Y C -1.517 174.493 175.900 0.183 0.000 1.226 527 Y CA -1.588 56.615 58.100 0.171 0.000 1.072 527 Y CB 0.805 39.378 38.460 0.190 0.000 1.331 527 Y HN 0.425 nan 8.280 nan 0.000 0.453 528 M N 2.322 122.111 119.600 0.314 0.000 2.404 528 M HA 0.696 5.175 4.480 -0.002 0.000 0.338 528 M C -1.294 175.223 176.300 0.363 0.000 1.150 528 M CA -1.016 54.432 55.300 0.247 0.000 1.016 528 M CB 1.710 34.408 32.600 0.162 0.000 1.672 528 M HN 0.591 nan 8.290 nan 0.000 0.448 529 V N 2.497 122.638 119.914 0.377 0.000 2.567 529 V HA 0.257 4.376 4.120 -0.002 0.000 0.298 529 V C -0.724 175.526 176.094 0.260 0.000 1.047 529 V CA -0.882 61.609 62.300 0.318 0.000 0.880 529 V CB 1.803 33.806 31.823 0.300 0.000 1.009 529 V HN 0.924 nan 8.190 nan 0.000 0.429 530 D N 4.080 124.579 120.400 0.165 0.000 2.686 530 D HA -0.191 4.448 4.640 -0.002 0.000 0.235 530 D C 1.356 177.722 176.300 0.111 0.000 1.160 530 D CA 1.906 55.979 54.000 0.122 0.000 0.645 530 D CB -1.038 39.829 40.800 0.111 0.000 1.039 530 D HN 1.547 nan 8.370 nan 0.000 0.423 531 G N -0.597 108.263 108.800 0.100 0.000 2.184 531 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.264 531 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.264 531 G C 0.302 175.222 174.900 0.033 0.000 0.975 531 G CA 0.513 45.650 45.100 0.062 0.000 0.642 531 G HN 0.573 nan 8.290 nan 0.000 0.536 532 R N -0.108 120.423 120.500 0.051 0.000 2.670 532 R HA 0.568 4.907 4.340 -0.002 0.000 0.289 532 R C -0.210 175.970 176.300 -0.201 0.000 0.965 532 R CA -0.771 55.264 56.100 -0.108 0.000 0.899 532 R CB 1.566 31.769 30.300 -0.162 0.000 1.173 532 R HN 0.301 nan 8.270 nan 0.000 0.456 533 Q N 2.380 121.980 119.800 -0.333 0.000 2.243 533 Q HA 0.268 4.607 4.340 -0.002 0.000 0.252 533 Q C -1.425 174.186 176.000 -0.650 0.000 0.909 533 Q CA -0.299 55.308 55.803 -0.327 0.000 0.922 533 Q CB 0.816 29.432 28.738 -0.203 0.000 1.215 533 Q HN 0.503 nan 8.270 nan 0.000 0.427 534 Y N 1.164 121.205 120.300 -0.432 0.000 2.524 534 Y HA 0.547 5.096 4.550 -0.002 0.000 0.344 534 Y C -0.549 174.960 175.900 -0.652 0.000 1.012 534 Y CA -0.908 56.876 58.100 -0.527 0.000 1.068 534 Y CB 2.107 40.188 38.460 -0.631 0.000 1.249 534 Y HN 0.297 nan 8.280 nan 0.000 0.468 535 V N 2.085 121.821 119.914 -0.297 0.000 2.487 535 V HA 0.543 4.662 4.120 -0.002 0.000 0.298 535 V C -0.720 175.266 176.094 -0.180 0.000 1.028 535 V CA -0.607 61.469 62.300 -0.372 0.000 0.860 535 V CB 1.653 33.087 31.823 -0.648 0.000 0.991 535 V HN 0.819 nan 8.190 nan 0.000 0.427 536 S N 3.091 118.705 115.700 -0.143 0.000 2.526 536 S HA 0.789 5.258 4.470 -0.002 0.000 0.293 536 S C -0.934 173.645 174.600 -0.036 0.000 1.092 536 S CA -0.583 57.578 58.200 -0.065 0.000 0.980 536 S CB 2.158 65.369 63.200 0.018 0.000 1.048 536 S HN 0.601 nan 8.310 nan 0.000 0.483 537 V N 2.036 121.980 119.914 0.050 0.000 2.760 537 V HA 0.820 4.939 4.120 -0.002 0.000 0.309 537 V C -0.919 175.270 176.094 0.159 0.000 1.077 537 V CA -0.678 61.686 62.300 0.107 0.000 0.910 537 V CB 1.721 33.631 31.823 0.145 0.000 1.008 537 V HN 1.048 nan 8.190 nan 0.000 0.424 538 A N 6.090 129.001 122.820 0.152 0.000 2.252 538 A HA 0.742 5.061 4.320 -0.002 0.000 0.309 538 A C -0.692 177.023 177.584 0.220 0.000 1.285 538 A CA -0.367 51.765 52.037 0.158 0.000 0.900 538 A CB 0.896 19.973 19.000 0.127 0.000 1.157 538 A HN 0.981 nan 8.150 nan 0.000 0.536 539 V N 2.402 122.470 119.914 0.257 0.000 2.347 539 V HA 0.736 4.855 4.120 -0.002 0.000 0.280 539 V C 0.605 176.863 176.094 0.273 0.000 1.021 539 V CA 0.294 62.778 62.300 0.307 0.000 0.847 539 V CB 1.424 33.492 31.823 0.410 0.000 0.990 539 V HN 1.220 nan 8.190 nan 0.000 0.444 540 G N 4.353 113.333 108.800 0.300 0.000 2.182 540 G HA2 0.200 4.159 3.960 -0.002 0.000 0.293 540 G HA3 0.200 4.159 3.960 -0.002 0.000 0.293 540 G C -0.815 174.300 174.900 0.359 0.000 1.409 540 G CA -0.590 44.676 45.100 0.277 0.000 1.153 540 G HN 0.705 nan 8.290 nan 0.000 0.586 541 W N 3.129 124.551 121.300 0.203 0.000 2.257 541 W HA 0.433 5.092 4.660 -0.002 0.000 0.337 541 W C 0.417 177.087 176.519 0.252 0.000 1.321 541 W CA 1.837 59.331 57.345 0.249 0.000 1.267 541 W CB 1.077 30.659 29.460 0.203 0.000 1.187 541 W HN 0.921 nan 8.180 nan 0.000 0.565 542 G N 2.441 111.009 108.800 -0.386 0.000 2.452 542 G HA2 0.449 4.408 3.960 -0.002 0.000 0.224 542 G HA3 0.449 4.408 3.960 -0.002 0.000 0.224 542 G C -0.308 174.586 174.900 -0.010 0.000 1.208 542 G CA 0.175 45.124 45.100 -0.252 0.000 0.946 542 G HN 1.455 nan 8.290 nan 0.000 0.481 543 G N -2.235 106.646 108.800 0.135 0.000 2.828 543 G HA2 0.180 4.139 3.960 -0.002 0.000 0.463 543 G HA3 0.180 4.139 3.960 -0.002 0.000 0.463 543 G C 1.051 176.079 174.900 0.213 0.000 1.394 543 G CA 0.550 45.889 45.100 0.399 0.000 0.862 543 G HN 1.947 nan 8.290 nan 0.000 0.540 544 V N -0.018 120.065 119.914 0.283 0.000 2.343 544 V HA -0.120 3.999 4.120 -0.002 0.000 0.247 544 V C 2.234 178.255 176.094 -0.121 0.000 1.051 544 V CA 3.157 65.491 62.300 0.055 0.000 1.036 544 V CB -0.836 31.041 31.823 0.091 0.000 0.654 544 V HN 0.947 nan 8.190 nan 0.000 0.451 545 Y N 1.492 121.359 120.300 -0.721 0.000 2.242 545 Y HA 0.027 4.576 4.550 -0.001 0.000 0.291 545 Y C 2.206 177.789 175.900 -0.528 0.000 1.137 545 Y CA 1.787 59.429 58.100 -0.763 0.000 1.181 545 Y CB -0.693 36.781 38.460 -1.643 0.000 0.989 545 Y HN 0.264 nan 8.280 nan 0.000 0.527 546 G N -0.036 108.399 108.800 -0.608 0.000 2.679 546 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.212 546 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.212 546 G C 1.510 176.253 174.900 -0.262 0.000 1.137 546 G CA 0.669 45.381 45.100 -0.648 0.000 0.787 546 G HN 0.454 nan 8.290 nan 0.000 0.534 547 L N 0.012 121.127 121.223 -0.179 0.000 2.056 547 L HA 0.008 4.347 4.340 -0.002 0.000 0.207 547 L C 2.985 179.828 176.870 -0.046 0.000 1.078 547 L CA 1.421 56.213 54.840 -0.080 0.000 0.749 547 L CB -0.117 41.909 42.059 -0.055 0.000 0.901 547 L HN 0.306 nan 8.230 nan 0.000 0.433 548 A N -1.408 121.355 122.820 -0.094 0.000 2.324 548 A HA 0.620 4.939 4.320 -0.002 0.000 0.220 548 A C 0.768 178.296 177.584 -0.092 0.000 1.209 548 A CA 0.484 52.485 52.037 -0.060 0.000 0.918 548 A CB 0.180 19.162 19.000 -0.031 0.000 0.959 548 A HN 0.259 nan 8.150 nan 0.000 0.507 549 A N 0.268 122.970 122.820 -0.197 0.000 2.479 549 A HA 0.854 5.173 4.320 -0.002 0.000 0.296 549 A C -0.363 177.316 177.584 0.158 0.000 1.121 549 A CA -0.624 51.306 52.037 -0.178 0.000 0.743 549 A CB 1.166 19.785 19.000 -0.635 0.000 1.323 549 A HN 0.709 nan 8.150 nan 0.000 0.415 550 R N -0.983 119.582 120.500 0.107 0.000 2.716 550 R HA 0.730 5.069 4.340 -0.002 0.000 0.271 550 R C -0.723 175.503 176.300 -0.123 0.000 1.028 550 R CA -0.185 55.890 56.100 -0.042 0.000 0.883 550 R CB 1.474 31.670 30.300 -0.173 0.000 1.250 550 R HN 1.211 nan 8.270 nan 0.000 0.465 551 A N 0.395 123.031 122.820 -0.307 0.000 2.606 551 A HA 0.287 4.606 4.320 -0.002 0.000 0.290 551 A C -0.108 177.356 177.584 -0.198 0.000 1.174 551 A CA 0.314 52.245 52.037 -0.178 0.000 0.958 551 A CB 0.236 19.172 19.000 -0.106 0.000 1.194 551 A HN 0.810 nan 8.150 nan 0.000 0.526 552 T N -4.432 109.977 114.554 -0.241 0.000 2.901 552 T HA 0.564 4.913 4.350 -0.002 0.000 0.293 552 T C 0.238 174.861 174.700 -0.129 0.000 1.084 552 T CA -0.356 61.644 62.100 -0.167 0.000 1.008 552 T CB 1.784 70.549 68.868 -0.170 0.000 1.170 552 T HN 0.068 nan 8.240 nan 0.000 0.509 553 E N -0.046 120.103 120.200 -0.086 0.000 2.216 553 E HA 0.070 4.419 4.350 -0.002 0.000 0.192 553 E C 0.895 177.464 176.600 -0.052 0.000 0.973 553 E CA -0.074 56.283 56.400 -0.071 0.000 0.851 553 E CB 0.242 29.909 29.700 -0.056 0.000 0.804 553 E HN 0.535 nan 8.360 nan 0.000 0.477 554 R N 1.915 122.390 120.500 -0.042 0.000 2.491 554 R HA 0.124 4.463 4.340 -0.002 0.000 0.283 554 R C -0.423 175.876 176.300 -0.001 0.000 1.072 554 R CA 0.064 56.156 56.100 -0.014 0.000 1.048 554 R CB 0.494 30.792 30.300 -0.002 0.000 0.983 554 R HN -0.125 nan 8.270 nan 0.000 0.450 555 Q N 1.564 121.380 119.800 0.027 0.000 2.365 555 Q HA 0.675 5.014 4.340 -0.002 0.000 0.269 555 Q C -0.404 175.638 176.000 0.069 0.000 1.061 555 Q CA -0.917 54.922 55.803 0.059 0.000 0.816 555 Q CB 2.622 31.399 28.738 0.065 0.000 1.325 555 Q HN 0.956 nan 8.270 nan 0.000 0.446 556 G N 1.314 110.170 108.800 0.093 0.000 2.600 556 G HA2 0.644 4.603 3.960 -0.002 0.000 0.293 556 G HA3 0.644 4.603 3.960 -0.002 0.000 0.293 556 G C -2.879 172.079 174.900 0.096 0.000 1.408 556 G CA -0.838 44.314 45.100 0.085 0.000 0.782 556 G HN 0.445 nan 8.290 nan 0.000 0.482 557 P HA 0.382 nan 4.420 nan 0.000 0.274 557 P C 0.642 177.987 177.300 0.075 0.000 1.237 557 P CA 0.054 63.193 63.100 0.066 0.000 0.793 557 P CB 0.851 32.567 31.700 0.027 0.000 0.977 558 G N 0.760 109.606 108.800 0.076 0.000 2.353 558 G HA2 0.369 4.328 3.960 -0.002 0.000 0.239 558 G HA3 0.369 4.328 3.960 -0.002 0.000 0.239 558 G C -0.533 174.380 174.900 0.022 0.000 1.295 558 G CA 0.172 45.322 45.100 0.082 0.000 0.884 558 G HN 0.534 nan 8.290 nan 0.000 0.537 559 T N 0.768 115.340 114.554 0.030 0.000 2.993 559 T HA 0.334 4.683 4.350 -0.002 0.000 0.312 559 T C -0.355 174.284 174.700 -0.101 0.000 1.115 559 T CA -0.476 61.555 62.100 -0.116 0.000 1.027 559 T CB 1.913 70.593 68.868 -0.314 0.000 1.116 559 T HN 0.386 nan 8.240 nan 0.000 0.464 560 V N 3.687 123.554 119.914 -0.077 0.000 2.406 560 V HA 0.382 4.501 4.120 -0.002 0.000 0.272 560 V C -0.987 174.941 176.094 -0.277 0.000 1.043 560 V CA -0.500 61.775 62.300 -0.042 0.000 0.915 560 V CB 0.062 31.927 31.823 0.071 0.000 0.988 560 V HN 0.779 nan 8.190 nan 0.000 0.466 561 Y N 2.308 122.524 120.300 -0.140 0.000 2.341 561 Y HA 0.565 5.114 4.550 -0.002 0.000 0.337 561 Y C 0.678 176.231 175.900 -0.578 0.000 1.014 561 Y CA -0.474 57.418 58.100 -0.347 0.000 1.111 561 Y CB 2.054 40.415 38.460 -0.164 0.000 1.194 561 Y HN 0.521 nan 8.280 nan 0.000 0.462 562 T N 4.849 118.881 114.554 -0.869 0.000 2.841 562 T HA 0.550 4.899 4.350 -0.002 0.000 0.285 562 T C -1.046 173.157 174.700 -0.829 0.000 0.991 562 T CA -0.661 60.902 62.100 -0.894 0.000 0.966 562 T CB 0.307 68.156 68.868 -1.699 0.000 0.962 562 T HN 0.234 nan 8.240 nan 0.000 0.438 563 F N 1.710 121.530 119.950 -0.216 0.000 2.507 563 F HA 0.846 5.372 4.527 -0.002 0.000 0.327 563 F C 0.175 175.903 175.800 -0.120 0.000 1.068 563 F CA -0.934 56.989 58.000 -0.128 0.000 0.965 563 F CB 1.708 40.631 39.000 -0.128 0.000 1.192 563 F HN 0.271 nan 8.300 nan 0.000 0.476 564 V N 1.588 121.537 119.914 0.060 0.000 3.178 564 V HA 0.488 4.607 4.120 -0.002 0.000 0.302 564 V C -1.304 174.748 176.094 -0.070 0.000 1.262 564 V CA -0.945 61.260 62.300 -0.158 0.000 1.030 564 V CB 2.547 34.209 31.823 -0.268 0.000 1.074 564 V HN 0.466 nan 8.190 nan 0.000 0.438 565 V N 4.933 124.776 119.914 -0.118 0.000 2.529 565 V HA 0.465 4.584 4.120 -0.002 0.000 0.292 565 V C 1.487 177.560 176.094 -0.035 0.000 1.028 565 V CA 1.792 64.058 62.300 -0.057 0.000 1.074 565 V CB 0.248 32.030 31.823 -0.068 0.000 0.958 565 V HN 1.741 nan 8.190 nan 0.000 0.481 566 G N 3.883 112.682 108.800 -0.001 0.000 2.176 566 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.253 566 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.253 566 G C 0.592 175.512 174.900 0.033 0.000 0.979 566 G CA -0.125 44.983 45.100 0.013 0.000 0.641 566 G HN 1.386 nan 8.290 nan 0.000 0.530 567 G N -0.338 108.490 108.800 0.047 0.000 2.414 567 G HA2 0.421 4.380 3.960 -0.002 0.000 0.236 567 G HA3 0.421 4.380 3.960 -0.002 0.000 0.236 567 G C 0.625 175.560 174.900 0.058 0.000 1.293 567 G CA 0.461 45.599 45.100 0.062 0.000 0.869 567 G HN 0.437 nan 8.290 nan 0.000 0.556 568 K N 1.113 121.547 120.400 0.057 0.000 2.402 568 K HA 0.322 4.641 4.320 -0.002 0.000 0.204 568 K C 1.202 177.832 176.600 0.049 0.000 1.056 568 K CA -0.114 56.203 56.287 0.050 0.000 1.069 568 K CB 0.988 33.514 32.500 0.045 0.000 0.888 568 K HN 0.590 nan 8.250 nan 0.000 0.546 569 A N 2.785 125.636 122.820 0.051 0.000 2.520 569 A HA 0.072 4.391 4.320 -0.002 0.000 0.235 569 A C 0.315 177.926 177.584 0.044 0.000 1.065 569 A CA -0.080 51.987 52.037 0.051 0.000 0.764 569 A CB 0.173 19.207 19.000 0.057 0.000 1.002 569 A HN 0.215 nan 8.150 nan 0.000 0.502 570 R N 3.002 123.529 120.500 0.045 0.000 2.410 570 R HA 0.382 4.721 4.340 -0.002 0.000 0.288 570 R C -0.375 175.960 176.300 0.058 0.000 1.051 570 R CA -0.609 55.520 56.100 0.048 0.000 1.021 570 R CB 0.100 30.424 30.300 0.040 0.000 1.032 570 R HN 0.581 nan 8.270 nan 0.000 0.481 571 M N 2.653 122.298 119.600 0.075 0.000 2.243 571 M HA 0.259 4.738 4.480 -0.002 0.000 0.341 571 M C -1.764 174.595 176.300 0.098 0.000 1.130 571 M CA -1.927 53.442 55.300 0.115 0.000 1.162 571 M CB -0.101 32.572 32.600 0.122 0.000 1.497 571 M HN 0.498 nan 8.290 nan 0.000 0.456 572 P HA 0.317 nan 4.420 nan 0.000 0.274 572 P C -0.542 176.809 177.300 0.084 0.000 1.256 572 P CA -0.129 63.016 63.100 0.074 0.000 0.795 572 P CB 0.524 32.256 31.700 0.054 0.000 1.038 580 G N 0.263 109.042 108.800 -0.036 0.000 2.855 580 G HA2 0.037 3.996 3.960 -0.002 0.000 0.352 580 G HA3 0.037 3.996 3.960 -0.002 0.000 0.352 580 G C -0.467 174.527 174.900 0.158 0.000 1.415 580 G CA 0.172 45.308 45.100 0.061 0.000 0.871 580 G HN 1.222 nan 8.290 nan 0.000 0.543 581 Q N -0.905 119.003 119.800 0.180 0.000 2.256 581 Q HA 0.586 4.925 4.340 -0.002 0.000 0.254 581 Q C 0.238 176.338 176.000 0.167 0.000 0.916 581 Q CA -1.040 54.859 55.803 0.160 0.000 0.932 581 Q CB 1.218 30.004 28.738 0.080 0.000 1.207 581 Q HN 0.993 nan 8.270 nan 0.000 0.426 582 L N 5.077 126.360 121.223 0.100 0.000 2.513 582 L HA 0.114 4.453 4.340 -0.002 0.000 0.272 582 L C -0.686 176.080 176.870 -0.173 0.000 1.187 582 L CA 0.156 54.884 54.840 -0.186 0.000 0.895 582 L CB 0.285 42.277 42.059 -0.111 0.000 1.147 582 L HN 0.784 nan 8.230 nan 0.000 0.483 583 L N 5.822 126.882 121.223 -0.271 0.000 2.615 583 L HA 0.124 4.463 4.340 -0.002 0.000 0.284 583 L C -0.158 176.637 176.870 -0.125 0.000 1.237 583 L CA 1.097 55.833 54.840 -0.173 0.000 0.905 583 L CB 0.039 41.965 42.059 -0.221 0.000 1.149 583 L HN 0.901 nan 8.230 nan 0.000 0.499 584 Q N 3.281 123.041 119.800 -0.067 0.000 2.435 584 Q HA 0.671 5.010 4.340 -0.002 0.000 0.282 584 Q C 0.158 176.155 176.000 -0.005 0.000 1.020 584 Q CA -0.572 55.210 55.803 -0.035 0.000 0.820 584 Q CB 1.421 30.146 28.738 -0.021 0.000 1.436 584 Q HN 0.896 nan 8.270 nan 0.000 0.395 585 G N 0.004 108.817 108.800 0.022 0.000 2.195 585 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.246 585 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.246 585 G C -0.030 174.902 174.900 0.054 0.000 0.984 585 G CA -0.070 45.050 45.100 0.035 0.000 0.633 585 G HN 0.654 nan 8.290 nan 0.000 0.525 586 V N 1.704 121.655 119.914 0.062 0.000 2.521 586 V HA 0.320 4.439 4.120 -0.002 0.000 0.286 586 V C 1.050 177.252 176.094 0.180 0.000 1.034 586 V CA 0.235 62.584 62.300 0.082 0.000 1.045 586 V CB 1.426 33.269 31.823 0.033 0.000 0.974 586 V HN 0.441 nan 8.190 nan 0.000 0.480 587 K N 5.281 125.759 120.400 0.129 0.000 2.368 587 K HA 0.373 4.692 4.320 -0.002 0.000 0.282 587 K C -0.748 175.977 176.600 0.209 0.000 1.035 587 K CA -0.155 56.202 56.287 0.117 0.000 0.973 587 K CB 0.370 32.899 32.500 0.048 0.000 0.957 587 K HN 0.734 nan 8.250 nan 0.000 0.474 588 Y N -0.229 120.065 120.300 -0.009 0.000 2.670 588 Y HA 0.348 4.897 4.550 -0.002 0.000 0.334 588 Y C -1.457 174.440 175.900 -0.005 0.000 1.185 588 Y CA -1.518 56.579 58.100 -0.006 0.000 1.053 588 Y CB 1.117 39.569 38.460 -0.012 0.000 1.298 588 Y HN 0.402 nan 8.280 nan 0.000 0.459 589 D N 2.631 123.075 120.400 0.073 0.000 2.412 589 D HA 0.378 5.017 4.640 -0.002 0.000 0.224 589 D C -2.028 174.307 176.300 0.058 0.000 1.093 589 D CA -2.739 51.242 54.000 -0.032 0.000 0.850 589 D CB 1.772 42.587 40.800 0.025 0.000 1.046 589 D HN 0.357 nan 8.370 nan 0.000 0.507 590 P HA -0.087 nan 4.420 nan 0.000 0.219 590 P C 0.959 178.318 177.300 0.098 0.000 1.146 590 P CA 0.830 63.990 63.100 0.100 0.000 0.808 590 P CB 0.185 31.878 31.700 -0.012 0.000 0.779 591 A N -0.051 122.796 122.820 0.044 0.000 2.121 591 A HA -0.148 4.171 4.320 -0.002 0.000 0.218 591 A C 1.859 179.476 177.584 0.055 0.000 1.154 591 A CA 1.250 53.310 52.037 0.039 0.000 0.679 591 A CB -0.864 18.146 19.000 0.017 0.000 0.795 591 A HN 0.212 nan 8.150 nan 0.000 0.458 592 K N -0.379 120.070 120.400 0.082 0.000 2.404 592 K HA 0.196 4.515 4.320 -0.002 0.000 0.194 592 K C 1.252 177.908 176.600 0.094 0.000 1.023 592 K CA 0.151 56.485 56.287 0.079 0.000 1.094 592 K CB 0.244 32.795 32.500 0.085 0.000 0.841 592 K HN 0.275 nan 8.250 nan 0.000 0.523 593 V N 1.657 121.642 119.914 0.118 0.000 2.343 593 V HA -0.273 3.846 4.120 -0.002 0.000 0.247 593 V C 2.426 178.582 176.094 0.103 0.000 1.051 593 V CA 2.222 64.605 62.300 0.137 0.000 1.036 593 V CB -0.309 31.597 31.823 0.138 0.000 0.654 593 V HN 0.390 nan 8.190 nan 0.000 0.451 594 E N 1.193 121.427 120.200 0.057 0.000 2.077 594 E HA -0.177 4.172 4.350 -0.002 0.000 0.193 594 E C 2.064 178.648 176.600 -0.027 0.000 0.989 594 E CA 1.906 58.314 56.400 0.012 0.000 0.800 594 E CB -0.556 29.148 29.700 0.006 0.000 0.746 594 E HN 0.477 nan 8.360 nan 0.000 0.452 595 A N 0.338 123.152 122.820 -0.011 0.000 1.902 595 A HA 0.001 4.320 4.320 -0.002 0.000 0.217 595 A C 2.501 180.052 177.584 -0.054 0.000 1.181 595 A CA 1.722 53.743 52.037 -0.028 0.000 0.623 595 A CB -1.359 17.638 19.000 -0.005 0.000 0.818 595 A HN 0.430 nan 8.150 nan 0.000 0.443 596 G N -1.132 107.653 108.800 -0.025 0.000 2.422 596 G HA2 -0.125 3.834 3.960 -0.002 0.000 0.218 596 G HA3 -0.125 3.834 3.960 -0.002 0.000 0.218 596 G C 1.539 176.274 174.900 -0.274 0.000 1.146 596 G CA 1.607 46.683 45.100 -0.040 0.000 0.769 596 G HN 0.431 nan 8.290 nan 0.000 0.547 597 T N 1.483 115.809 114.554 -0.381 0.000 2.708 597 T HA -0.103 4.246 4.350 -0.002 0.000 0.266 597 T C 2.532 176.942 174.700 -0.483 0.000 1.037 597 T CA 1.376 62.990 62.100 -0.809 0.000 1.146 597 T CB -0.206 68.441 68.868 -0.368 0.000 0.865 597 T HN 0.197 nan 8.240 nan 0.000 0.435 598 M N 0.359 119.804 119.600 -0.258 0.000 2.132 598 M HA 0.027 4.506 4.480 -0.002 0.000 0.263 598 M C 2.292 178.489 176.300 -0.170 0.000 1.065 598 M CA 1.446 56.639 55.300 -0.179 0.000 1.122 598 M CB -0.651 31.881 32.600 -0.114 0.000 1.365 598 M HN 0.194 nan 8.290 nan 0.000 0.411 599 L N -1.334 119.794 121.223 -0.158 0.000 2.093 599 L HA -0.216 4.123 4.340 -0.002 0.000 0.208 599 L C 2.545 179.301 176.870 -0.190 0.000 1.085 599 L CA 1.285 56.042 54.840 -0.139 0.000 0.755 599 L CB -0.625 41.373 42.059 -0.101 0.000 0.904 599 L HN 0.221 nan 8.230 nan 0.000 0.435 600 Y N -0.377 119.694 120.300 -0.381 0.000 2.220 600 Y HA -0.200 4.349 4.550 -0.002 0.000 0.291 600 Y C 2.381 178.046 175.900 -0.392 0.000 1.129 600 Y CA 1.383 59.244 58.100 -0.398 0.000 1.161 600 Y CB -0.010 38.104 38.460 -0.578 0.000 0.997 600 Y HN -0.172 nan 8.280 nan 0.000 0.522 601 V N 0.231 120.001 119.914 -0.240 0.000 2.407 601 V HA -0.326 3.793 4.120 -0.002 0.000 0.248 601 V C 2.495 178.341 176.094 -0.415 0.000 1.055 601 V CA 1.813 63.919 62.300 -0.323 0.000 1.049 601 V CB -1.275 30.411 31.823 -0.228 0.000 0.662 601 V HN 0.565 nan 8.190 nan 0.000 0.455 602 A N -0.602 122.045 122.820 -0.289 0.000 2.119 602 A HA -0.080 4.239 4.320 -0.002 0.000 0.217 602 A C 1.898 179.330 177.584 -0.253 0.000 1.153 602 A CA 1.460 53.355 52.037 -0.236 0.000 0.692 602 A CB -0.235 18.691 19.000 -0.124 0.000 0.799 602 A HN 0.624 nan 8.150 nan 0.000 0.458 603 N N -2.411 116.091 118.700 -0.330 0.000 2.211 603 N HA 0.065 4.804 4.740 -0.002 0.000 0.216 603 N C 0.505 175.811 175.510 -0.340 0.000 1.240 603 N CA 0.934 53.833 53.050 -0.252 0.000 0.895 603 N CB 0.873 39.162 38.487 -0.331 0.000 1.102 603 N HN 0.481 nan 8.380 nan 0.000 0.498 604 C N -0.961 117.970 119.300 -0.615 0.000 4.049 604 C HA 0.252 4.711 4.460 -0.002 0.000 0.493 604 C C 2.316 176.954 174.990 -0.587 0.000 1.535 604 C CA -0.385 58.254 59.018 -0.632 0.000 2.218 604 C CB -0.367 26.712 27.740 -1.102 0.000 3.323 604 C HN 0.092 nan 8.230 nan 0.000 0.654 605 V N 1.059 120.544 119.914 -0.715 0.000 2.490 605 V HA -0.106 4.013 4.120 -0.002 0.000 0.250 605 V C 1.591 177.600 176.094 -0.142 0.000 1.061 605 V CA 2.048 64.131 62.300 -0.361 0.000 1.064 605 V CB -0.503 31.102 31.823 -0.363 0.000 0.670 605 V HN 0.666 nan 8.190 nan 0.000 0.461 606 F N -1.961 117.783 119.950 -0.343 0.000 2.773 606 F HA 0.043 4.569 4.527 -0.001 0.000 0.304 606 F C 1.962 177.673 175.800 -0.149 0.000 1.129 606 F CA 0.044 57.854 58.000 -0.317 0.000 1.378 606 F CB -0.004 38.589 39.000 -0.679 0.000 1.095 606 F HN 0.297 nan 8.300 nan 0.000 0.565 607 C N -1.796 117.510 119.300 0.010 0.000 2.553 607 C HA 0.072 4.531 4.460 -0.002 0.000 0.447 607 C C 2.125 177.005 174.990 -0.184 0.000 1.351 607 C CA 0.188 59.157 59.018 -0.081 0.000 2.354 607 C CB -0.474 27.182 27.740 -0.141 0.000 2.905 607 C HN 0.380 nan 8.230 nan 0.000 0.554 608 H N 0.739 119.830 119.070 0.035 0.000 2.551 608 H HA 0.278 4.833 4.556 -0.002 0.000 0.271 608 H C 1.535 176.955 175.328 0.153 0.000 0.984 608 H CA 1.089 57.188 56.048 0.085 0.000 1.164 608 H CB -0.054 29.761 29.762 0.089 0.000 1.437 608 H HN 0.592 nan 8.280 nan 0.000 0.550 609 G N 0.842 109.780 108.800 0.229 0.000 2.641 609 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.254 609 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.254 609 G C -0.299 174.791 174.900 0.318 0.000 1.315 609 G CA -0.064 45.172 45.100 0.227 0.000 0.907 609 G HN 0.187 nan 8.290 nan 0.000 0.572 610 V N 2.751 122.793 119.914 0.214 0.000 2.383 610 V HA 0.441 4.560 4.120 -0.002 0.000 0.275 610 V C -1.666 174.439 176.094 0.019 0.000 1.036 610 V CA -0.930 61.453 62.300 0.140 0.000 0.889 610 V CB 1.589 33.482 31.823 0.116 0.000 0.985 610 V HN 0.610 nan 8.190 nan 0.000 0.459 611 P HA 0.152 nan 4.420 nan 0.000 0.262 611 P C 1.103 178.268 177.300 -0.226 0.000 1.182 611 P CA 1.604 64.565 63.100 -0.231 0.000 0.761 611 P CB 0.588 31.998 31.700 -0.482 0.000 0.795 612 G N 1.943 110.633 108.800 -0.184 0.000 2.779 612 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.230 612 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.230 612 G C 1.210 176.170 174.900 0.099 0.000 1.243 612 G CA 0.462 45.453 45.100 -0.181 0.000 0.769 612 G HN 0.393 nan 8.290 nan 0.000 0.516 613 V N 1.793 121.726 119.914 0.032 0.000 2.295 613 V HA 0.029 4.148 4.120 -0.002 0.000 0.246 613 V C 1.324 177.484 176.094 0.111 0.000 1.049 613 V CA 2.233 64.574 62.300 0.068 0.000 1.024 613 V CB -0.395 31.453 31.823 0.042 0.000 0.648 613 V HN 0.569 nan 8.190 nan 0.000 0.447 614 D N -0.841 119.630 120.400 0.119 0.000 2.253 614 D HA 0.294 4.933 4.640 -0.002 0.000 0.249 614 D C 0.908 177.305 176.300 0.161 0.000 1.049 614 D CA -0.349 53.713 54.000 0.104 0.000 0.929 614 D CB 1.223 42.072 40.800 0.081 0.000 1.176 614 D HN 0.111 nan 8.370 nan 0.000 0.437 615 R N 0.295 120.823 120.500 0.048 0.000 2.308 615 R HA 0.307 4.646 4.340 -0.002 0.000 0.202 615 R C 0.656 176.937 176.300 -0.032 0.000 0.898 615 R CA -0.043 56.003 56.100 -0.090 0.000 1.046 615 R CB 0.638 30.803 30.300 -0.225 0.000 1.026 615 R HN 0.652 nan 8.270 nan 0.000 0.512 616 G N -0.390 108.434 108.800 0.041 0.000 2.697 616 G HA2 -0.020 3.939 3.960 -0.002 0.000 0.686 616 G HA3 -0.020 3.939 3.960 -0.002 0.000 0.686 616 G C -0.275 174.667 174.900 0.070 0.000 1.179 616 G CA -0.661 44.479 45.100 0.065 0.000 0.765 616 G HN 0.294 nan 8.290 nan 0.000 0.649 617 G N 0.216 109.080 108.800 0.107 0.000 3.407 617 G HA2 0.579 4.538 3.960 -0.002 0.000 0.187 617 G HA3 0.579 4.538 3.960 -0.002 0.000 0.187 617 G C 1.140 176.172 174.900 0.220 0.000 1.262 617 G CA 0.750 45.994 45.100 0.240 0.000 0.808 617 G HN 1.555 nan 8.290 nan 0.000 0.687 618 N N -0.305 118.518 118.700 0.204 0.000 2.521 618 N HA 0.104 4.843 4.740 -0.002 0.000 0.188 618 N C 0.307 175.862 175.510 0.076 0.000 1.146 618 N CA 0.326 53.468 53.050 0.153 0.000 0.893 618 N CB 0.120 38.689 38.487 0.138 0.000 0.975 618 N HN 0.314 nan 8.380 nan 0.000 0.451 619 I N 1.409 122.003 120.570 0.040 0.000 2.433 619 I HA 0.341 4.510 4.170 -0.002 0.000 0.292 619 I C -2.319 173.825 176.117 0.046 0.000 1.001 619 I CA -2.708 58.589 61.300 -0.006 0.000 1.119 619 I CB 2.337 40.255 38.000 -0.137 0.000 1.289 619 I HN -0.122 nan 8.210 nan 0.000 0.438 620 P HA 0.015 nan 4.420 nan 0.000 0.271 620 P C -1.011 176.418 177.300 0.215 0.000 1.218 620 P CA -0.269 62.897 63.100 0.111 0.000 0.780 620 P CB 0.801 32.524 31.700 0.039 0.000 0.901 621 N N 2.605 121.418 118.700 0.188 0.000 2.514 621 N HA 0.069 4.808 4.740 -0.002 0.000 0.277 621 N C 1.265 176.847 175.510 0.120 0.000 1.126 621 N CA -0.290 52.892 53.050 0.219 0.000 0.978 621 N CB 0.661 39.312 38.487 0.273 0.000 1.106 621 N HN 0.314 nan 8.380 nan 0.000 0.461 622 L N 2.638 123.887 121.223 0.044 0.000 2.275 622 L HA -0.007 4.332 4.340 -0.002 0.000 0.215 622 L C 2.163 178.950 176.870 -0.140 0.000 1.119 622 L CA 0.901 55.688 54.840 -0.088 0.000 0.790 622 L CB -0.332 41.660 42.059 -0.112 0.000 0.919 622 L HN 0.655 nan 8.230 nan 0.000 0.443 623 G N -1.623 107.062 108.800 -0.192 0.000 2.848 623 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.208 623 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.208 623 G C 0.792 175.278 174.900 -0.690 0.000 1.152 623 G CA 0.145 44.989 45.100 -0.426 0.000 0.789 623 G HN 0.394 nan 8.290 nan 0.000 0.531 624 Y N -0.707 119.561 120.300 -0.053 0.000 2.588 624 Y HA 0.449 4.998 4.550 -0.002 0.000 0.247 624 Y C 1.328 177.207 175.900 -0.034 0.000 1.157 624 Y CA -0.694 57.385 58.100 -0.036 0.000 1.215 624 Y CB 0.318 38.763 38.460 -0.024 0.000 1.245 624 Y HN 0.000 nan 8.280 nan 0.000 0.534 625 M N 0.319 119.919 119.600 0.001 0.000 2.227 625 M HA 0.070 4.549 4.480 -0.002 0.000 0.316 625 M C 0.309 176.649 176.300 0.066 0.000 1.144 625 M CA -0.048 55.250 55.300 -0.003 0.000 1.121 625 M CB 0.409 32.945 32.600 -0.107 0.000 1.440 625 M HN 0.096 nan 8.290 nan 0.000 0.473 626 D N 0.616 121.117 120.400 0.168 0.000 2.423 626 D HA 0.047 4.686 4.640 -0.002 0.000 0.238 626 D C 0.596 176.973 176.300 0.129 0.000 1.142 626 D CA 0.170 54.263 54.000 0.156 0.000 0.884 626 D CB 1.205 42.126 40.800 0.201 0.000 1.199 626 D HN 0.705 nan 8.370 nan 0.000 0.438 627 A N 3.039 125.891 122.820 0.052 0.000 2.024 627 A HA -0.218 4.101 4.320 -0.002 0.000 0.220 627 A C 2.234 179.833 177.584 0.025 0.000 1.164 627 A CA 2.144 54.198 52.037 0.028 0.000 0.643 627 A CB -0.650 18.358 19.000 0.013 0.000 0.806 627 A HN 0.694 nan 8.150 nan 0.000 0.451 628 S N -1.255 114.433 115.700 -0.019 0.000 2.400 628 S HA -0.238 4.231 4.470 -0.002 0.000 0.232 628 S C 1.792 176.345 174.600 -0.078 0.000 1.025 628 S CA 1.522 59.674 58.200 -0.078 0.000 0.993 628 S CB -0.883 62.212 63.200 -0.176 0.000 0.808 628 S HN 0.622 nan 8.310 nan 0.000 0.478 629 Y N 1.234 121.510 120.300 -0.040 0.000 2.314 629 Y HA 0.090 4.640 4.550 -0.002 0.000 0.293 629 Y C 2.335 178.236 175.900 0.001 0.000 1.129 629 Y CA 0.686 58.679 58.100 -0.178 0.000 1.201 629 Y CB -0.148 38.062 38.460 -0.417 0.000 0.999 629 Y HN 0.281 nan 8.280 nan 0.000 0.541 630 I N -0.705 119.942 120.570 0.128 0.000 2.494 630 I HA -0.112 4.057 4.170 -0.002 0.000 0.250 630 I C 2.237 178.405 176.117 0.084 0.000 1.112 630 I CA 0.940 62.286 61.300 0.076 0.000 1.438 630 I CB -1.161 36.840 38.000 0.002 0.000 1.111 630 I HN 0.136 nan 8.210 nan 0.000 0.431 631 E N 2.083 122.328 120.200 0.075 0.000 2.085 631 E HA -0.183 4.166 4.350 -0.002 0.000 0.194 631 E C 1.046 177.701 176.600 0.092 0.000 0.994 631 E CA 1.373 57.814 56.400 0.070 0.000 0.801 631 E CB -0.094 29.636 29.700 0.050 0.000 0.743 631 E HN 0.355 nan 8.360 nan 0.000 0.453 632 N N 0.488 119.273 118.700 0.143 0.000 2.453 632 N HA 0.022 4.761 4.740 -0.002 0.000 0.270 632 N C 0.769 176.415 175.510 0.228 0.000 1.195 632 N CA -0.086 53.054 53.050 0.151 0.000 0.902 632 N CB 0.519 39.082 38.487 0.127 0.000 1.186 632 N HN 0.126 nan 8.380 nan 0.000 0.510 633 L N 2.146 123.506 121.223 0.227 0.000 2.089 633 L HA -0.076 4.263 4.340 -0.002 0.000 0.213 633 L C -0.865 176.088 176.870 0.139 0.000 1.079 633 L CA 2.205 57.192 54.840 0.245 0.000 0.758 633 L CB -1.087 41.040 42.059 0.113 0.000 0.891 633 L HN 0.076 nan 8.230 nan 0.000 0.433 634 P HA -0.110 nan 4.420 nan 0.000 0.218 634 P C 0.991 178.337 177.300 0.077 0.000 1.148 634 P CA 1.297 64.488 63.100 0.151 0.000 0.822 634 P CB -0.176 31.683 31.700 0.264 0.000 0.784 635 N N -1.394 117.217 118.700 -0.148 0.000 2.364 635 N HA -0.096 4.643 4.740 -0.002 0.000 0.183 635 N C 1.127 176.265 175.510 -0.620 0.000 1.022 635 N CA 1.120 53.896 53.050 -0.455 0.000 0.883 635 N CB -0.744 37.246 38.487 -0.828 0.000 0.965 635 N HN 0.306 nan 8.380 nan 0.000 0.438 636 F N -0.857 119.140 119.950 0.079 0.000 2.678 636 F HA 0.141 4.667 4.527 -0.002 0.000 0.291 636 F C 1.909 177.726 175.800 0.027 0.000 1.123 636 F CA -0.178 57.870 58.000 0.080 0.000 1.395 636 F CB 0.105 39.177 39.000 0.119 0.000 1.121 636 F HN -0.121 nan 8.300 nan 0.000 0.592 637 V N -3.504 116.413 119.914 0.006 0.000 3.590 637 V HA 0.219 4.338 4.120 -0.002 0.000 0.265 637 V C -0.047 175.914 176.094 -0.221 0.000 1.239 637 V CA 0.204 62.424 62.300 -0.134 0.000 1.117 637 V CB -0.915 30.637 31.823 -0.451 0.000 0.818 637 V HN 0.048 nan 8.190 nan 0.000 0.451 638 F N 1.290 121.322 119.950 0.137 0.000 2.403 638 F HA 0.592 5.118 4.527 -0.002 0.000 0.355 638 F C 0.752 176.584 175.800 0.053 0.000 1.119 638 F CA -1.280 56.774 58.000 0.090 0.000 1.007 638 F CB 1.561 40.589 39.000 0.048 0.000 1.194 638 F HN -0.059 nan 8.300 nan 0.000 0.443 639 K N 1.405 121.931 120.400 0.211 0.000 3.311 639 K HA -0.200 4.119 4.320 -0.002 0.000 0.270 639 K C 0.512 177.178 176.600 0.110 0.000 0.927 639 K CA 0.290 56.653 56.287 0.128 0.000 0.706 639 K CB -1.303 31.258 32.500 0.101 0.000 1.418 639 K HN 0.862 nan 8.250 nan 0.000 0.459 640 G N 1.227 110.103 108.800 0.127 0.000 2.599 640 G HA2 0.247 4.206 3.960 -0.002 0.000 0.264 640 G HA3 0.247 4.206 3.960 -0.002 0.000 0.264 640 G C -0.819 174.166 174.900 0.142 0.000 1.200 640 G CA -1.069 44.110 45.100 0.132 0.000 0.896 640 G HN 0.042 nan 8.290 nan 0.000 0.536 641 P HA -0.003 nan 4.420 nan 0.000 0.230 641 P C 1.115 178.513 177.300 0.163 0.000 1.158 641 P CA 1.179 64.376 63.100 0.160 0.000 0.769 641 P CB 0.357 32.174 31.700 0.195 0.000 0.807 642 A N -1.171 121.769 122.820 0.200 0.000 2.307 642 A HA 0.220 4.539 4.320 -0.002 0.000 0.218 642 A C 2.052 179.722 177.584 0.144 0.000 1.228 642 A CA -0.139 51.999 52.037 0.168 0.000 0.857 642 A CB -0.955 18.159 19.000 0.189 0.000 0.897 642 A HN 0.021 nan 8.150 nan 0.000 0.495 643 M N -1.102 118.575 119.600 0.128 0.000 2.149 643 M HA -0.142 4.337 4.480 -0.002 0.000 0.261 643 M C 2.001 178.342 176.300 0.068 0.000 1.064 643 M CA 1.504 56.870 55.300 0.110 0.000 1.102 643 M CB -0.289 32.365 32.600 0.090 0.000 1.369 643 M HN 0.320 nan 8.290 nan 0.000 0.408 644 V N 0.469 120.401 119.914 0.031 0.000 2.913 644 V HA -0.175 3.944 4.120 -0.002 0.000 0.260 644 V C 1.774 177.822 176.094 -0.077 0.000 1.098 644 V CA 1.604 63.876 62.300 -0.045 0.000 1.121 644 V CB -0.558 31.239 31.823 -0.043 0.000 0.714 644 V HN 0.407 nan 8.190 nan 0.000 0.487 645 R N -0.403 120.116 120.500 0.031 0.000 2.393 645 R HA 0.326 4.665 4.340 -0.002 0.000 0.244 645 R C 1.433 177.880 176.300 0.245 0.000 0.920 645 R CA 0.651 56.810 56.100 0.098 0.000 1.076 645 R CB 0.597 30.967 30.300 0.116 0.000 1.119 645 R HN 0.546 nan 8.270 nan 0.000 0.524 646 G N 1.363 110.302 108.800 0.232 0.000 2.179 646 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.220 646 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.220 646 G C -0.028 175.044 174.900 0.287 0.000 0.990 646 G CA -0.082 45.239 45.100 0.367 0.000 0.646 646 G HN 0.200 nan 8.290 nan 0.000 0.517 647 M N 2.424 122.164 119.600 0.235 0.000 2.194 647 M HA 0.585 5.064 4.480 -0.002 0.000 0.347 647 M C -2.106 174.322 176.300 0.214 0.000 1.439 647 M CA -3.158 52.290 55.300 0.247 0.000 1.131 647 M CB 0.363 33.108 32.600 0.242 0.000 1.733 647 M HN -0.006 nan 8.290 nan 0.000 0.467 648 P HA 0.120 nan 4.420 nan 0.000 0.271 648 P C -1.327 175.875 177.300 -0.164 0.000 1.233 648 P CA -0.155 62.899 63.100 -0.077 0.000 0.789 648 P CB 0.387 31.837 31.700 -0.417 0.000 0.951 649 D N 0.241 120.477 120.400 -0.272 0.000 2.274 649 D HA 0.175 4.814 4.640 -0.002 0.000 0.239 649 D C -0.466 175.604 176.300 -0.384 0.000 1.104 649 D CA -0.254 53.655 54.000 -0.152 0.000 0.840 649 D CB -0.018 40.750 40.800 -0.053 0.000 1.100 649 D HN 0.143 nan 8.370 nan 0.000 0.477 650 F N 1.496 121.430 119.950 -0.027 0.000 2.645 650 F HA 0.149 4.675 4.527 -0.002 0.000 0.300 650 F C 1.152 177.084 175.800 0.221 0.000 1.115 650 F CA -0.238 57.753 58.000 -0.015 0.000 1.355 650 F CB 0.077 38.970 39.000 -0.179 0.000 1.026 650 F HN 0.170 nan 8.300 nan 0.000 0.536 651 T N 0.421 115.199 114.554 0.373 0.000 2.908 651 T HA 0.299 4.648 4.350 -0.002 0.000 0.301 651 T C 1.276 176.060 174.700 0.139 0.000 1.019 651 T CA 1.176 63.457 62.100 0.302 0.000 1.152 651 T CB 0.458 69.420 68.868 0.156 0.000 0.966 651 T HN 0.646 nan 8.240 nan 0.000 0.540 652 G N 3.094 111.962 108.800 0.114 0.000 2.179 652 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.260 652 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.260 652 G C 0.856 175.804 174.900 0.079 0.000 0.977 652 G CA 0.678 45.813 45.100 0.059 0.000 0.641 652 G HN 0.682 nan 8.290 nan 0.000 0.533 653 K N -1.045 119.446 120.400 0.151 0.000 2.424 653 K HA 0.463 4.782 4.320 -0.002 0.000 0.198 653 K C 0.748 177.461 176.600 0.189 0.000 1.190 653 K CA 0.201 56.581 56.287 0.156 0.000 0.935 653 K CB 0.655 33.272 32.500 0.196 0.000 1.087 653 K HN 0.327 nan 8.250 nan 0.000 0.524 654 L N 1.321 122.716 121.223 0.286 0.000 2.362 654 L HA 0.416 4.755 4.340 -0.002 0.000 0.271 654 L C -0.397 176.654 176.870 0.301 0.000 1.002 654 L CA -0.696 54.293 54.840 0.248 0.000 0.818 654 L CB 2.027 44.203 42.059 0.195 0.000 1.298 654 L HN 0.063 nan 8.230 nan 0.000 0.420 655 S N 0.429 116.236 115.700 0.178 0.000 2.615 655 S HA 0.855 5.324 4.470 -0.002 0.000 0.269 655 S C -0.012 174.631 174.600 0.072 0.000 1.161 655 S CA -0.142 58.119 58.200 0.101 0.000 0.817 655 S CB 1.470 64.692 63.200 0.037 0.000 1.131 655 S HN 1.234 nan 8.310 nan 0.000 0.467 656 G N 2.168 110.986 108.800 0.030 0.000 2.622 656 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.307 656 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.307 656 G C 0.249 175.180 174.900 0.050 0.000 1.226 656 G CA 0.971 46.087 45.100 0.025 0.000 0.997 656 G HN 1.584 nan 8.290 nan 0.000 0.551 657 D N 0.870 121.297 120.400 0.045 0.000 2.325 657 D HA 0.127 4.766 4.640 -0.002 0.000 0.225 657 D C 1.100 177.433 176.300 0.056 0.000 1.096 657 D CA 0.922 54.953 54.000 0.051 0.000 0.844 657 D CB -0.147 40.675 40.800 0.038 0.000 0.925 657 D HN 0.332 nan 8.370 nan 0.000 0.513 658 D N 0.888 121.326 120.400 0.062 0.000 2.158 658 D HA -0.143 4.496 4.640 -0.002 0.000 0.197 658 D C 2.155 178.478 176.300 0.039 0.000 0.995 658 D CA 0.819 54.846 54.000 0.045 0.000 0.846 658 D CB 0.042 40.873 40.800 0.052 0.000 0.941 658 D HN 0.169 nan 8.370 nan 0.000 0.456 659 V N 1.348 121.305 119.914 0.071 0.000 2.515 659 V HA -0.152 3.967 4.120 -0.002 0.000 0.250 659 V C 2.323 178.447 176.094 0.051 0.000 1.058 659 V CA 1.252 63.580 62.300 0.046 0.000 1.064 659 V CB -0.291 31.584 31.823 0.087 0.000 0.675 659 V HN 0.109 nan 8.190 nan 0.000 0.461 660 E N 0.483 120.721 120.200 0.064 0.000 2.077 660 E HA -0.149 4.200 4.350 -0.002 0.000 0.193 660 E C 2.481 179.122 176.600 0.069 0.000 0.989 660 E CA 1.573 58.013 56.400 0.067 0.000 0.800 660 E CB -0.386 29.352 29.700 0.065 0.000 0.746 660 E HN 0.582 nan 8.360 nan 0.000 0.452 661 S N 1.192 116.926 115.700 0.057 0.000 2.368 661 S HA -0.087 4.382 4.470 -0.002 0.000 0.225 661 S C 2.189 176.829 174.600 0.067 0.000 1.030 661 S CA 0.727 58.961 58.200 0.057 0.000 0.999 661 S CB -0.257 62.963 63.200 0.033 0.000 0.844 661 S HN 0.182 nan 8.310 nan 0.000 0.459 662 L N 1.150 122.403 121.223 0.051 0.000 2.042 662 L HA -0.172 4.167 4.340 -0.002 0.000 0.210 662 L C 2.432 179.348 176.870 0.077 0.000 1.076 662 L CA 1.329 56.221 54.840 0.086 0.000 0.749 662 L CB -0.501 41.580 42.059 0.036 0.000 0.893 662 L HN 0.265 nan 8.230 nan 0.000 0.432 663 K N 0.032 120.453 120.400 0.034 0.000 2.063 663 K HA -0.177 4.142 4.320 -0.002 0.000 0.208 663 K C 2.238 178.775 176.600 -0.104 0.000 1.048 663 K CA 1.455 57.732 56.287 -0.016 0.000 0.928 663 K CB -0.321 32.197 32.500 0.029 0.000 0.713 663 K HN 0.308 nan 8.250 nan 0.000 0.442 664 A N 1.020 123.833 122.820 -0.012 0.000 1.902 664 A HA -0.177 4.142 4.320 -0.002 0.000 0.217 664 A C 2.013 179.487 177.584 -0.183 0.000 1.181 664 A CA 1.229 53.233 52.037 -0.054 0.000 0.623 664 A CB -0.670 18.445 19.000 0.191 0.000 0.818 664 A HN 0.383 nan 8.150 nan 0.000 0.443 665 F N 0.659 120.492 119.950 -0.194 0.000 2.134 665 F HA -0.120 4.406 4.527 -0.002 0.000 0.299 665 F C 1.856 177.450 175.800 -0.343 0.000 1.097 665 F CA 1.544 59.400 58.000 -0.240 0.000 1.264 665 F CB -0.264 38.607 39.000 -0.216 0.000 1.001 665 F HN 0.182 nan 8.300 nan 0.000 0.479 666 I N 0.049 120.364 120.570 -0.425 0.000 2.133 666 I HA -0.279 3.890 4.170 -0.002 0.000 0.238 666 I C 2.449 178.223 176.117 -0.572 0.000 1.074 666 I CA 1.665 62.627 61.300 -0.563 0.000 1.342 666 I CB -0.647 37.187 38.000 -0.277 0.000 1.053 666 I HN 0.166 nan 8.210 nan 0.000 0.404 667 Q N 1.236 120.701 119.800 -0.558 0.000 2.167 667 Q HA -0.096 4.243 4.340 -0.002 0.000 0.202 667 Q C 2.061 177.633 176.000 -0.714 0.000 0.970 667 Q CA 1.915 57.351 55.803 -0.612 0.000 0.855 667 Q CB -0.605 27.745 28.738 -0.647 0.000 0.911 667 Q HN 0.472 nan 8.270 nan 0.000 0.438 668 G N -1.087 107.185 108.800 -0.880 0.000 2.422 668 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.218 668 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.218 668 G C 1.402 176.097 174.900 -0.342 0.000 1.146 668 G CA 1.225 46.035 45.100 -0.483 0.000 0.769 668 G HN 0.430 nan 8.290 nan 0.000 0.547 669 T N 1.545 115.786 114.554 -0.522 0.000 2.777 669 T HA 0.086 4.435 4.350 -0.002 0.000 0.266 669 T C 2.832 177.325 174.700 -0.346 0.000 1.040 669 T CA 1.328 63.140 62.100 -0.479 0.000 1.141 669 T CB -0.322 68.055 68.868 -0.817 0.000 0.868 669 T HN 0.350 nan 8.240 nan 0.000 0.444 670 A N 1.924 124.518 122.820 -0.378 0.000 1.933 670 A HA -0.159 4.160 4.320 -0.002 0.000 0.218 670 A C 2.086 179.557 177.584 -0.189 0.000 1.175 670 A CA 1.719 53.581 52.037 -0.291 0.000 0.628 670 A CB -0.598 18.208 19.000 -0.323 0.000 0.814 670 A HN 0.326 nan 8.150 nan 0.000 0.444 671 D N -0.040 120.260 120.400 -0.166 0.000 2.144 671 D HA -0.006 4.633 4.640 -0.002 0.000 0.200 671 D C 2.192 178.461 176.300 -0.053 0.000 0.978 671 D CA 1.411 55.371 54.000 -0.067 0.000 0.833 671 D CB -0.385 40.425 40.800 0.016 0.000 0.961 671 D HN 0.420 nan 8.370 nan 0.000 0.470 672 A N 0.945 123.721 122.820 -0.074 0.000 2.015 672 A HA -0.090 4.229 4.320 -0.002 0.000 0.219 672 A C 2.154 179.713 177.584 -0.042 0.000 1.163 672 A CA 0.971 52.979 52.037 -0.048 0.000 0.646 672 A CB -0.649 18.317 19.000 -0.055 0.000 0.806 672 A HN 0.445 nan 8.150 nan 0.000 0.448 673 I N -4.121 116.412 120.570 -0.062 0.000 3.956 673 I HA 0.282 4.451 4.170 -0.002 0.000 0.333 673 I C 0.820 176.922 176.117 -0.025 0.000 1.302 673 I CA -0.444 60.834 61.300 -0.037 0.000 1.122 673 I CB -0.042 37.933 38.000 -0.041 0.000 1.013 673 I HN 0.054 nan 8.210 nan 0.000 0.405 674 R 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